AG003JG6

452-14-2 | 3-Fluoro-4-methoxyphenylacetic acid

AG003JG6

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CAS Number	452-14-2
Catalog Number	AG003JG6(AGN-PC-0JS9W9)
Chemical Name	3-Fluoro-4-methoxyphenylacetic acid
EC Number	610-231-4
IUPAC Name	2-(3-fluoro-4-methoxyphenyl)acetic acid
InChI	InChI=1S/C9H9FO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key	VURNBRZIFABCRU-UHFFFAOYSA-N
MDL Number	MFCD00060353
Molecular Formula	C9H9FO3
Molecular Weight	184.1644
SMILES	O=C(O)CC1=CC=C(OC)C(F)=C1
Synonyms	3-Fluoro-4-methoxyphenylacetic acid, 452-14-2, 2-(3-fluoro-4-methoxyphenyl)acetic acid, (3-fluoro-4-methoxyphenyl)acetic acid, 3-fluoro-4-methoxyphenylaceticacid, VURNBRZIFABCRU-UHFFFAOYSA-N, Benzeneacetic acid, 3-fluoro-4-methoxy-, PubChem4170, AC1LAV8G, AC1Q4CFC, 3-Fluor-4-methoxy-phenylessig, SCHEMBL1036212, RARECHEM AL BO 1534, CTK3J4941, KS-00000CRG, DTXSID60334575, OTAVA-BB 1500630, HMS1746B04, ACN-S004328, ACT09038, ALBB-006387, ZINC2169688, ANW-51427, CF-706, CL8779, FC1143, MFCD00060353, SBB017988, STK503885, WT1666, 3-fluoro-4-methoxy-phenylacetic acid, AKOS000302398, AN-6062, AS02174, ASINEX-REAG BAS 18130280, CM13709, FS-1683, MCULE-9520654638, RP24454, RTR-017230, TRA0090710, VZ26817, (3-fluoro-4-methoxy-phenyl)-acetic acid, AJ-34000, AK-35215, BR-35215, SC-69991, SY016405, 2-(3-fluoro-4-methoxy-phenyl)acetic acid, AB0029992, DB-011192, TR-017230, 2-(3-fluoro-4-methoxy-phenyl)-acetic acid, AM20060023, FT-0081529, FT-0632147, ST24028520, ST50342049, X2167, C-5023, 452-14-2 3-fluoro-4-methoxyphenylacetic acid, MFCD00060353 (97+%), I04-5280, J-512494, Z94598730, C9H9FO3, CID521176, A7123,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.054g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.166g/mol
Monoisotopic Mass	184.054g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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