AG00DFJG

518070-22-9 | 3-Fluoro-5-methylphenylacetic acid

AG00DFJG

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CAS Number	518070-22-9
Catalog Number	AG00DFJG(AGN-PC-0WAOAU)
Chemical Name	3-Fluoro-5-methylphenylacetic acid
IUPAC Name	2-(3-fluoro-5-methylphenyl)acetic acid
InChI	InChI=1S/C9H9FO2/c1-6-2-7(5-9(11)12)4-8(10)3-6/h2-4H,5H2,1H3,(H,11,12)
InChI Key	GDUUQFGFHKTVEB-UHFFFAOYSA-N
MDL Number	MFCD03094318
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
SMILES	O=C(O)CC1=CC(C)=CC(F)=C1
Synonyms	3-Fluoro-5-methylphenylacetic acid, 518070-22-9, 2-(3-fluoro-5-methylphenyl)acetic acid, (3-fluoro-5-methylphenyl)acetic acid, MFCD03094318, AC1MCTBV, SCHEMBL867785, CTK7J2215, DTXSID90380944, GDUUQFGFHKTVEB-UHFFFAOYSA-N, JRD-1399, ZINC2243222, BBL021843, SBB088155, STK894560, AKOS005144392, AB13322, MCULE-9010510716, NCGC00336826-01, AJ-34250, AS-46277, SC-62713, AB0087694, RT-008732, CS-0061257, T7928, AB01329693-02, (3-Fluoro-5-methylphenyl)acetic acid, AldrichCPR, CID2778454, 3-FLUORO-5-METHYLPHENYLACETICACID, 2-(3-fluoro-5-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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number