AG00BFLQ

239135-52-5 | 5-Fluoro-2-(trifluoromethyl)phenylacetic acid

AG00BFLQ

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CAS Number	239135-52-5
Catalog Number	AG00BFLQ(AGN-PC-0KK8MM)
Chemical Name	5-Fluoro-2-(trifluoromethyl)phenylacetic acid
IUPAC Name	2-[5-fluoro-2-(trifluoromethyl)phenyl]acetic acid
InChI	InChI=1S/C9H6F4O2/c10-6-1-2-7(9(11,12)13)5(3-6)4-8(14)15/h1-3H,4H2,(H,14,15)
InChI Key	GWWZRGDMAFXULO-UHFFFAOYSA-N
MDL Number	MFCD00236304
Molecular Formula	C9H6F4O2
Molecular Weight	222.1364
SMILES	O=C(O)CC1=CC(F)=CC=C1C(F)(F)F
Synonyms	5-Fluoro-2-(Trifluoromethyl)Phenylacetic Acid, 239135-52-5, 2-(5-fluoro-2-(trifluoromethyl)phenyl)acetic acid, 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetic Acid, 5-FLUORO-2-TRIFLUOROMETHYLPHENYLACETIC ACID, MFCD00236304, Benzeneacetic acid, 5-fluoro-2-(trifluoromethyl)-, PubChem7410, ACMC-1CBFN, AC1MC7JN, 5-Fluoro-2-(trifluoromethyl)phenylaceticacid, KSC495G0H, SCHEMBL154096, AC1Q74V3, CTK3J5303, KS-00000IGP, DTXSID30372166, GWWZRGDMAFXULO-UHFFFAOYSA-N, ZINC2560198, ZX-AP001533, ANW-25260, CL8801, PC4557, SBB096267, WT1614, AKOS005259843, CS-W014723, DS-1787, RTR-011082, ACM239135525, AJ-40506, AK-41071, SC-68849, 2-(Carboxymethyl)-4-fluorobenzotrifluoride, AB0023653, AX8168787, TR-011082, 4CH-000889, AM20030420, FT-0676160, ST24029470, W4755, M-6720, [5-fluoro-2-(trifluoromethyl)phenyl]acetic acid, A816984, 2-(5-fluoro-2-trifluoromethyl-phenyl)-acetic acid, I04-5321, 2-(Carboxymethyl)-alpha,alpha,alpha,4-tetrafluorotoluene, 2-[5-fluoranyl-2-(trifluoromethyl)phenyl]ethanoic acid, [5-Fluoro-2-(trifluoromethyl)phenyl]acetic acid, AldrichCPR, 239135-52-5 5-Fluoro-2-(trifluoromethyl)phenylacetic acid, 5-Fluoro-2- phenylaceticacid, C9H6F4O2, CID2737594,

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 statements	H302-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

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