AG00I4FZ

2251-76-5 | Benzeneacetic acid, 4-fluoro-a-oxo-

AG00I4FZ

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CAS Number	2251-76-5
Catalog Number	AG00I4FZ(AGN-PC-0QZ51J)
Chemical Name	Benzeneacetic acid, 4-fluoro-a-oxo-
IUPAC Name	2-(4-fluorophenyl)-2-oxoacetic acid
InChI	InChI=1S/C8H5FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4H,(H,11,12)
InChI Key	YRGDGXWJSRZRAS-UHFFFAOYSA-N
MDL Number	MFCD02250293
Molecular Formula	C8H5FO3
Molecular Weight	168.1219
SMILES	O=C(O)C(C1=CC=C(F)C=C1)=O
Synonyms	2-(4-fluorophenyl)-2-oxoacetic acid, 2251-76-5, (4-Fluorophenyl)glyoxylic acid, 2-(4-fluorophenyl)glyoxylic acid, YRGDGXWJSRZRAS-UHFFFAOYSA-N, AC1LBARH, 4-Fluorophenyloxoacetic acid, 4-fluorophenyl glyoxylic acid, SCHEMBL263831, 4-fluorobenzoyl carboxylic acid, (4-fluoro-phenyl)-oxo-acetic acid, (4-Fluorophenyl)(oxo)acetic acid #, ZINC32148291, AKOS003612206, MCULE-3191036747, NE55907, AK201616, AS-44523, Benzeneacetic acid, 4-fluoro-.alpha.-oxo-, Z1625062751, (4-Fluorophenyl)(oxo)acetic acid, CID579440,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.022g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.123g/mol
Monoisotopic Mass	168.022g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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