AG002S6O

261951-74-0 | Benzeneacetic acid, 3-fluoro-4-methyl-

AG002S6O

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CAS Number	261951-74-0
Catalog Number	AG002S6O(AGN-PC-0KKWAA)
Chemical Name	Benzeneacetic acid, 3-fluoro-4-methyl-
IUPAC Name	2-(3-fluoro-4-methylphenyl)acetic acid
InChI	InChI=1S/C9H9FO2/c1-6-2-3-7(4-8(6)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key	YECYDEGFKJWADM-UHFFFAOYSA-N
MDL Number	MFCD30291970
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
SMILES	CC1=C(F)C=C(CC(O)=O)C=C1
Synonyms	3-Fluoro-4-methylphenylacetic acid, 261951-74-0, 2-(3-fluoro-4-methylphenyl)acetic acid, (3-fluoro-4-methylphenyl)acetic acid, Benzeneacetic acid, 3-fluoro-4-methyl-, MFCD01631536, ACMC-20aica, PubChem5864, AC1MCOPQ, SCHEMBL283594, CTK4F7352, DTXSID30379130, YECYDEGFKJWADM-UHFFFAOYSA-N, JRD-0861, KS-00000L6X, ZINC2382217, 2282AB, ANW-74696, CF-136, CL9109, SBB088167, AKOS005258573, ACN-052085, FS-1098, VZ26829, (3-fluoro-4-methyl-phenyl)-acetic acid, AJ-34785, AK-34427, SC-89342, DB-013092, TR-011901, FT-0676199, A21988, C-5944, (3-Fluoro-4-methylphenyl)acetic acid AldrichCPR, (3-Fluoro-4-methylphenyl)acetic acid, AldrichCPR, I04-5276, C9H9FO2, 3-Fluoro-4-methylphenylaceticacid, CID2774618, 2-(3-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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