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5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one , CAS No.121649-18-1

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5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one , CAS No.121649-18-1

CAS#: 121649-18-1
Molecular Weight: 180.14
PubChem CID: 2535079

In stock

Item Number

F166545

Grouped product items
SKU	Size	Availability	Price	Qty
F166545-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$996.90

Basic Description

Synonyms	121649-18-1 \| 5-(4-FLUOROPHENYL)-1,3,4-OXADIAZOL-2(3H)-ONE \| 5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one \| 5-(4-fluorophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-one \| CHEMBL4761164 \| 5-(4-fluorophenyl)-1,3,4-oxadiazol-2-ol \| SCHEMBL5544153 \| SCHEMBL23451582 \| DTXSID10368906 \| B
Storage Temp	Room temperature
Shipped In	Normal

AI Insight

Associated Targets(Human)

NOTUM Tchem Palmitoleoyl-protein carboxylesterase NOTUM (1 Activities)

Discover Target: NOTUM

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
INCHI	InChI=1S/C8H5FN2O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChi Key	GJHOBBCSKKRRBE-UHFFFAOYSA-N
Canonical SMILES	C1=CC(=CC=C1C2=NNC(=O)O2)F
Isomeric SMILES	C1=CC(=CC=C1C2=NNC(=O)O2)F
PubChem CID	2535079
Molecular Weight	180.14

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	180.140 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	180.034 Da
Monoisotopic Mass	180.034 Da
Topological Polar Surface Area	50.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	247.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H302: Harmful if swallowed
Precautionary Statements	P501: Dispose of contents/container to ... P264: Wash hands [and …] thoroughly after handling. P270: Do not eat, drink or smoke when using this product. P330: Rinse mouth. P301+P317: IF SWALLOWED: Get medical help.

Specifications

Specification Sheet

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