AG003JGP

195447-79-1 | 3-Fluoro-5-(trifluoromethyl)benzeneacetic acid

AG003JGP

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CAS Number	195447-79-1
Catalog Number	AG003JGP(AGN-PC-0KKN1H)
Chemical Name	3-Fluoro-5-(trifluoromethyl)benzeneacetic acid
IUPAC Name	2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
InChI	InChI=1S/C9H6F4O2/c10-7-2-5(3-8(14)15)1-6(4-7)9(11,12)13/h1-2,4H,3H2,(H,14,15)
InChI Key	LQIBHDUPSIQRPV-UHFFFAOYSA-N
MDL Number	MFCD00007312
Molecular Formula	C9H6F4O2
Molecular Weight	222.1364
SMILES	O=C(O)CC1=CC(C(F)(F)F)=CC(F)=C1
Synonyms	195447-79-1, 3-Fluoro-5-(trifluoromethyl)phenylacetic acid, 2-(3-Fluoro-5-(trifluoromethyl)phenyl)acetic acid, 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic Acid, 3-FLUORO-5-TRIFLUOROMETHYLPHENYLACETIC ACID, Fluorotrifluoromethylphenylaceticacid6, MFCD00061188, 3-fluoro-5-(trifluoromethyl)-phenylacetic acid, [3-fluoro-5-(trifluoromethyl)phenyl]acetic acid, Benzeneacetic acid, 3-fluoro-5-(trifluoromethyl)-, PubChem8436, AC1MBZSZ, KSC496C1D, SCHEMBL153296, CTK3J6111, DTXSID80374670, LQIBHDUPSIQRPV-UHFFFAOYSA-N, ACT00212, KS-00000CU6, ZINC4265140, ANW-46948, SBB064732, WT1652, AKOS015853069, AB02406, AM62260, AS04435, CS-W013120, MCULE-8866535390, RTR-009091, TRA0000699, VZ26850, 3-Fluoro-5-trifluoromethylphenylaceticacid, AJ-49944, AS-18927, BC676523, BR-53961, SY021831, AB0030974, ST2405079, TR-009091, 3-Fluoro-5-(trifluoromethyl)phenylaceticAcid, 3-fluoro-5-trifluoromethyl-phenylacetic acid, FT-0656154, X3277, MFCD00061188 (98%), C-5552, A813808, Benzeneacetic acid,3-fluoro-5-(trifluoromethyl)-, 2-[5-fluoro-3-(trifluoromethyl)phenyl]acetic acid, I01-5562, 2-[3-fluoranyl-5-(trifluoromethyl)phenyl]ethanoic acid, 195447-79-1 3-fluoro-5-trifluoromethylphenylacetic acid, [3-Fluoro-5-(trifluoromethyl)phenyl]acetic acid, AldrichCPR, C9H6F4O2, CID2759172, 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile, 239087-12-8, 110859-47-7,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.03g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.139g/mol
Monoisotopic Mass	222.03g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

Lot Number