AG001925

138716-37-7 | Isoxazole, 5-(4-fluorophenyl)-

AG001925

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CAS Number	138716-37-7
Catalog Number	AG001925(AGN-PC-0KKWCY)
Chemical Name	Isoxazole, 5-(4-fluorophenyl)-
IUPAC Name	5-(4-fluorophenyl)-1,2-oxazole
InChI	InChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H
InChI Key	JZCBQTRPILCIBC-UHFFFAOYSA-N
MDL Number	MFCD02183544
Molecular Formula	C9H6FNO
Molecular Weight	163.1484
SMILES	FC1=CC=C(C=C1)C1=CC=NO1
Synonyms	5-(4-Fluorophenyl)isoxazole, 138716-37-7, 5-(4-fluorophenyl)-1,2-oxazole, MFCD02183544, AC1MCOU5, ACMC-1C1FL, SCHEMBL9679859, CTK4C1375, KS-00003KMV, DTXSID20379184, Isoxazole, 5-(4-fluorophenyl)-, ZINC2578086, 1-Fluoro-4-(isoxazol-5-yl)benzene, ANW-20471, SBB087680, AKOS005257874, FS-2076, RTR-005110, 1-Fluoro-4-(1,2-oxazol-5-yl)benzene, 5-(4-Fluorophenyl)isoxazole, AldrichCPR, AJ-42730, CJ-10163, TR-005110, V2878, B-3187, I14-25434, 5- ISOXAZOLE, C9H6FNO, ZINC02578086, CID2774719,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.151g/mol
Monoisotopic Mass	163.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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