AG003LDF

407640-40-8 | 2-(4-Fluoro-2-Methylphenyl)Acetic Acid

AG003LDF

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CAS Number	407640-40-8
Catalog Number	AG003LDF(AGN-PC-0LL68K)
Chemical Name	2-(4-Fluoro-2-Methylphenyl)Acetic Acid
IUPAC Name	2-(4-fluoro-2-methylphenyl)acetic acid
InChI	InChI=1S/C9H9FO2/c1-6-4-8(10)3-2-7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key	KOZXQTAPRQFRLT-UHFFFAOYSA-N
MDL Number	MFCD00049318
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
SMILES	O=C(O)CC1=CC=C(F)C=C1C
Synonyms	4-Fluoro-2-methylphenylacetic acid, 407640-40-8, 2-(4-fluoro-2-methylphenyl)acetic acid, (4-fluoro-2-methylphenyl)acetic acid, (4-fluoro-2-methyl-phenyl)-acetic acid, MFCD00049318, Benzeneacetic acid, 4-fluoro-2-methyl-, PubChem4174, AC1NMVXP, 2-(4-fluoro-2-methyl-phenyl)acetic Acid, ACMC-1AKUB, SCHEMBL3172186, CTK4I3716, KS-00000HTR, TIMTEC-BB SBB027289, DTXSID30407543, KOZXQTAPRQFRLT-UHFFFAOYSA-N, JRD-1387, ZINC2509983, 5544AB, ANW-59780, BBL101966, SBB027289, STL555763, AKOS000301907, AC-1843, AS00504, ASINEX-REAG ASN 13559970, CS-W006365, FS-2029, MCULE-3725443030, QC-2490, RTR-056467, AJ-36369, AK-37488, AN-14576, BC676492, AB0067976, ST2403950, TR-056467, 4CH-018469, BB 0262159, FT-0738815, ST50570644, X-4045, I04-12440, C9H9FO2, CID5016950,

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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