Halogenated Heterocycles

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  1. 2-Amino-5-chlorobenzoxazole, Activator of K Ca2.2
    Cas#: 61-80-3        Compound CID:  6103
    Formula:  C7H5ClN2O        Molecular Weight: 168.58
    IUPAC Name: 5-chloro-1,3-benzoxazol-2-amine
    SMILES: C1=CC2=C(C=C1Cl)N=C(O2)N
    InChIKey: YGCODSQDUUUKIV-UHFFFAOYSA-N
    InChI: InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
    Synonyms: 2-Amino-5-chlorobenzoxazole, 97% | NSC24995 | NSC-24995 | Zoxazolamine [INN:BAN:NF] | GTPL2327 | KBio3_002665 | Spect...
  2. Kynurenic acid, Agonist of GPR35
    Cas#: 492-27-3        Compound CID:  3845
    Formula:  C10H7NO3        Molecular Weight: 189.17
    IUPAC Name: 4-oxo-1H-quinoline-2-carboxylic acid
    SMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
    InChIKey: HCZHHEIFKROPDY-UHFFFAOYSA-N
    InChI: InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
    Synonyms: AMY18102 | BDBM81975 | Oprea1_032085 | Tox21_500716 | HCZHHEIFKROPDY-UHFFFAOYSA- | LP00716 | KYA | 4-Hydroxy-2-quinol...
  3. Kynurenic acid, Agonist of GPR35
    Cas#: 492-27-3        Compound CID:  3845
    Formula:  C10H7NO3        Molecular Weight: 189.17
    IUPAC Name: 4-oxo-1H-quinoline-2-carboxylic acid
    SMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
    InChIKey: HCZHHEIFKROPDY-UHFFFAOYSA-N
    InChI: InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
    Synonyms: kynurenic acid|4-Hydroxyquinoline-2-carboxylic acid|492-27-3|13593-94-7|4-oxo-1,4-dihydroquinoline-2-carboxylic acid|...
  4. Zoxazolamine, Activator of K Ca2.2
    Cas#: 61-80-3        Compound CID:  6103
    Formula:  C7H5ClN2O        Molecular Weight: 168.58
    IUPAC Name: 5-chloro-1,3-benzoxazol-2-amine
    SMILES: C1=CC2=C(C=C1Cl)N=C(O2)N
    InChIKey: YGCODSQDUUUKIV-UHFFFAOYSA-N
    InChI: InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
    Synonyms: 2-Amino-5-chlorobenzoxazole, 97% | NSC24995 | NSC-24995 | Zoxazolamine [INN:BAN:NF] | GTPL2327 | KBio3_002665 | Spect...
  5. 2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether, Potassium channel subfamily K member 2 opener
    Cas#: 13838-16-9        Compound CID:  3226
    Formula:  C3H2ClF5O        Molecular Weight: 184.49
    IUPAC Name: 2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
    SMILES: C(C(OC(F)F)(F)F)(F)Cl
    InChIKey: JPGQOUSTVILISH-UHFFFAOYSA-N
    InChI: InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H
    Synonyms: EN300-123045 | (2RS)-2-Chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane | BRN 1903921 | Anesthetic Compound No. 347 |...
  6. 1,3-Bis(4-chloro-3-(trifluoromethyl)phenyl)urea
    Cas#: 370-50-3       
    Formula:  C15H8Cl2F6N2O        Molecular Weight: 417.13
    IUPAC Name: 1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]urea
    SMILES: C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(F)(F)F)Cl
    InChIKey: ABOVRDBEJDIBMZ-UHFFFAOYSA-N
    InChI: InChI=1S/C15H8Cl2F6N2O/c16-11-3-1-7(5-9(11)14(18,19)20)24-13(26)25-8-2-4-12(17)10(6-8)15(21,22)23/h1-6H,(H2,24,25,26)
    Synonyms: N,N'-Bis[4-chloro-3-(trifluoromethyl)phenyl]urea | Flucofuron
  7. 1,1,1-Trifluoro-2-(trifluoromethyl)pentane-2,4-diol
    Cas#: 34844-48-9       
    Formula:  C6H8F6O2        Molecular Weight: 226.12
    IUPAC Name: 1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol
    SMILES: CC(CC(C(F)(F)F)(C(F)(F)F)O)O
    InChIKey: QAJCOMPEAMJMEB-UHFFFAOYSA-N
    InChI: InChI=1S/C6H8F6O2/c1-3(13)2-4(14,5(7,8)9)6(10,11)12/h3,13-14H,2H2,1H3
  8. Clorprenaline
    Cas#: 3811-25-4       
    Formula:  C11H16ClNO        Molecular Weight: 213.70
    IUPAC Name: 1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol
    SMILES: CC(C)NCC(C1=CC=CC=C1Cl)O
    InChIKey: SSMSBSWKLKKXGG-UHFFFAOYSA-N
    InChI: InChI=1S/C11H16ClNO/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12/h3-6,8,11,13-14H,7H2,1-2H3
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