Halogenated Heterocycles
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TribromofluoromethaneCas#: 353-54-8 Compound CID: 67707Formula: CBr3F Molecular Weight: 270.72IUPAC Name: tribromo(fluoro)methaneSMILES: C(F)(Br)(Br)BrInChIKey: IHZAEIHJPNTART-UHFFFAOYSA-NInChI: InChI=1S/CBr3F/c2-1(3,4)5Synonyms: EN300-341885 | tris(bromanyl)-fluoranyl-methane | DTXSID2059859 | FT-0676457 | MFCD00000366 | EINECS 206-535-8 | Fluo...
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2,6-Dichloro-3-pyridinecarboxaldehydeCas#: 55304-73-9 Compound CID: 12259383Formula: C6H3Cl2NO Molecular Weight: 176IUPAC Name: 2,6-dichloropyridine-3-carbaldehydeSMILES: C1=CC(=NC(=C1C=O)Cl)ClInChIKey: HWTMRGXKSANEDO-UHFFFAOYSA-NInChI: InChI=1S/C6H3Cl2NO/c7-5-2-1-4(3-10)6(8)9-5/h1-3HSynonyms: ?trans-2-Nonen-1-ol | 2,6-Dichloropyridine-3-carboxaldehyde | 2,6-Dichloropyridine-3-carboxaldehyde, 97% | 2,6-dichlo...
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4-Fluoro-2-(trifluoromethyl)benzoyl ChlorideCas#: 189807-21-4 Compound CID: 605680Formula: C8H3ClF4O Molecular Weight: 226.55IUPAC Name: 4-fluoro-2-(trifluoromethyl)benzoyl chlorideSMILES: C1=CC(=C(C=C1F)C(F)(F)F)C(=O)ClInChIKey: OEYHURRIOWWRMD-UHFFFAOYSA-NInChI: InChI=1S/C8H3ClF4O/c9-7(14)5-2-1-4(10)3-6(5)8(11,12)13/h1-3HSynonyms: alpha,alpha,alpha,4-Tetrafluoro-o-toluoyl Chloride | MFCD00061158 | 4-Fluoro-2-(trifluoromethyl)benzoyl chloride, 97%...
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4-Chloro-3-methoxy-2-methylpyridine N-oxideCas#: 122307-41-9 Compound CID: 5083929Formula: C7H8ClNO2 Molecular Weight: 173.6IUPAC Name: 4-chloro-3-methoxy-2-methyl-1-oxidopyridin-1-iumSMILES: CC1=[N+](C=CC(=C1OC)Cl)[O-]InChIKey: TWXMQDRFBLSXFN-UHFFFAOYSA-NInChI: InChI=1S/C7H8ClNO2/c1-5-7(11-2)6(8)3-4-9(5)10/h3-4H,1-2H3Synonyms: AS-10872 | 2-methyl-3-methoxy-4-chloropyridine N-oxide | MFCD03093995 | AC-8440 | FT-0642982 | 4-Chloro-2-methyl-3-me...
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5,7-Dichloro-8-quinolinol, DNA inhibitorCas#: 773-76-2 Compound CID: 2722Formula: C9H5Cl2NO Molecular Weight: 214.05IUPAC Name: 5,7-dichloroquinolin-8-olSMILES: C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1InChIKey: WDFKMLRRRCGAKS-UHFFFAOYSA-NInChI: InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13HSynonyms: Chlofucid | STK075368 | UNII-2I8BD50I8B | Chloroxine [USAN] | s1839 | SBI-0051782.P002 | Dichloroquinolinol | 5,7-Dic...
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2-Bromo-3-methyl-5-nitropyridineCas#: 23132-21-0 Compound CID: 5200466Formula: C6H5BrN2O2 Molecular Weight: 217.02IUPAC Name: 2-bromo-3-methyl-5-nitropyridineSMILES: CC1=CC(=CN=C1Br)[N+](=O)[O-]InChIKey: FZIQHPKXSLHGBZ-UHFFFAOYSA-NInChI: InChI=1S/C6H5BrN2O2/c1-4-2-5(9(10)11)3-8-6(4)7/h2-3H,1H3Synonyms: 2-bromanyl-3-methyl-5-nitro-pyridine | FT-0638296 | MFCD03095065 | A816581 | STK688508 | 2-Bromo-3-methyl-5-nitropyri...
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4-Fluoro-2，1，3-benzoxadiazoleCas#: 29270-55-1 Compound CID: 4607136Formula: C6H3FN2O Molecular Weight: 138.1IUPAC Name: 4-fluoro-2,1,3-benzoxadiazoleSMILES: C1=CC2=NON=C2C(=C1)FInChIKey: QKZQJBBZKDVVFI-UHFFFAOYSA-NInChI: InChI=1S/C6H3FN2O/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3HSynonyms: 4-Fluoro-2,1,3-benzoxadiazole|29270-55-1|4-Fluoro-2,1,3-benzoxadiazol|4-Fluorobenzo[c][1,2,5]oxadiazole|4-Fluorobenzo...
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3,5-Diiodo-4-pyridone-1-acetic AcidCas#: 101-29-1 Compound CID: 9304Formula: C7H5I2NO3 Molecular Weight: 404.93IUPAC Name: 2-(3,5-diiodo-4-oxopyridin-1-yl)acetic acidSMILES: C1=C(C(=O)C(=CN1CC(=O)O)I)IInChIKey: PVBALTLWZVEAIO-UHFFFAOYSA-NInChI: InChI=1S/C7H5I2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)Synonyms: 101-29-1|3,5-Diiodo-4-pyridone-1-acetic Acid|Pelvirinic acid|Umbradilic acid|Diodone acid|1(4H)-Pyridineacetic acid, ...
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5-Fluoro-2-methylbenzothiazoleCas#: 399-75-7 Compound CID: 597437Formula: C8H6FNS Molecular Weight: 167.2IUPAC Name: 5-fluoro-2-methyl-1,3-benzothiazoleSMILES: CC1=NC2=C(S1)C=CC(=C2)FInChIKey: LDBFGRGBYVULTJ-UHFFFAOYSA-NInChI: InChI=1S/C8H6FNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3Synonyms: SY050872 | AS-61369 | 5-Fluoro-2-methylbenzothiazole, 97% | A824830 | AKOS015853223 | SCHEMBL1319670 | 2-Methyl-5-flu...
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1-Fluoro-2,4-dinitrobenzeneCas#: 70-34-8 Compound CID: 6264Formula: C6H3FN2O4 Molecular Weight: 186.10IUPAC Name: 1-fluoro-2,4-dinitrobenzeneSMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])FInChIKey: LOTKRQAVGJMPNV-UHFFFAOYSA-NInChI: InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3HSynonyms: DNFB | FDNB | 2,4-Dinitrofluorobenzene | Sanger's Reagent | DNPF
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2-Chloro-1-phenylethanolCas#: 1674-30-2 Compound CID: 92898Formula: C8H9ClO Molecular Weight: 156.61IUPAC Name: 2-chloro-1-phenylethanolSMILES: C1=CC=C(C=C1)C(CCl)OInChIKey: XWCQSILTDPAWDP-UHFFFAOYSA-NInChI: InChI=1S/C8H9ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2
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2-[(2-chloroacetyl)amino]benzenecarboxylic acidCas#: 14422-49-2 Compound CID: 919916Formula: C9H8NO3Cl Molecular Weight: 213.61IUPAC Name: 2-[(2-chloroacetyl)amino]benzoic acidSMILES: C1=CC=C(C(=C1)C(=O)O)NC(=O)CClInChIKey: OKAPEGBSNZHDIW-UHFFFAOYSA-NInChI: InChI=1S/C9H8ClNO3/c10-5-8(12)11-7-4-2-1-3-6(7)9(13)14/h1-4H,5H2,(H,11,12)(H,13,14)
