AG003B81

518070-28-5 | 2-Fluoro-4-methylphenylacetic acid

AG003B81

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CAS Number	518070-28-5
Catalog Number	AG003B81(AGN-PC-0KKYX3)
Chemical Name	2-Fluoro-4-methylphenylacetic acid
IUPAC Name	2-(2-fluoro-4-methylphenyl)acetic acid
InChI	InChI=1S/C9H9FO2/c1-6-2-3-7(5-9(11)12)8(10)4-6/h2-4H,5H2,1H3,(H,11,12)
InChI Key	JAUQBMIRVXYHIV-UHFFFAOYSA-N
MDL Number	MFCD03094329
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
SMILES	CC1=CC(F)=C(CC(O)=O)C=C1
Synonyms	2-Fluoro-4-methylphenylacetic acid, 518070-28-5, 2-(2-fluoro-4-methylphenyl)acetic acid, MFCD03094329, (2-fluoro-4-methylphenyl)acetic acid, 2-Fluoro-4-methylphenylaceticacid, AC1MCTDY, ACMC-1ATAA, SCHEMBL5545008, CTK4J4913, DTXSID90380964, JAUQBMIRVXYHIV-UHFFFAOYSA-N, 4-(Carboxymethyl)-3-fluorotoluene, ACT12847, JRD-1376, KS-000010LF, ZINC2243233, 7260AB, ANW-69257, SBB088156, 2-fluoror-4-methyl phenylacetic acid, AKOS015956690, AS01083, PS-8728, (2-Fluoro-4-methyl-phenyl)-acetic acid, AC-26159, AJ-34258, AK-35440, SC-69944, RT-007774, FT-0705079, ST24040601, A21990, K-9507, C9H9FO2, ACN-055843, CID2778479, 2-(2-fluoro-4-methyl-phenyl)acetic Acid,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.167g/mol
Monoisotopic Mass	168.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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