AG002KI4

209991-64-0 | 2-Fluoro-4-(trifluoromethyl)phenylacetic acid

AG002KI4

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CAS Number	209991-64-0
Catalog Number	AG002KI4(AGN-PC-0L17G9)
Chemical Name	2-Fluoro-4-(trifluoromethyl)phenylacetic acid
IUPAC Name	2-[2-fluoro-4-(trifluoromethyl)phenyl]acetic acid
InChI	InChI=1S/C9H6F4O2/c10-7-4-6(9(11,12)13)2-1-5(7)3-8(14)15/h1-2,4H,3H2,(H,14,15)
InChI Key	LUIOBGWYVHPKRC-UHFFFAOYSA-N
MDL Number	MFCD00061186
Molecular Formula	C9H6F4O2
Molecular Weight	222.1364
SMILES	O=C(O)CC1=CC=C(C(F)(F)F)C=C1F
Synonyms	209991-64-0, 2-Fluoro-4-(trifluoromethyl)phenylacetic acid, 2-Fluoro-4-trifluoromethyphenylacetic acid, 2-[2-fluoro-4-(trifluoromethyl)phenyl]acetic Acid, MFCD00061186, 2-(2-fluoro-4-(trifluoromethyl)phenyl)acetic acid, Benzeneacetic acid, 2-fluoro-4-(trifluoromethyl)-, PubChem2710, PubChem8433, 2-fluoro-4-trifluoromethyphenylaceticacid, ACMC-1CISP, AC1MYWZ9, KSC496C2F, SCHEMBL512428, CTK3J6122, DTXSID20397545, LUIOBGWYVHPKRC-UHFFFAOYSA-N, ACT09024, JRD-0029, KS-00000ZQ0, 0740AB, ANW-44445, CL8761, FC1140, SBB096260, ZINC12954094, AKOS005258246, AM84024, RTR-039814, AJ-63137, AN-29890, AS-46098, BC658821, SC-69945, 2-Fluoro-4-trifluoromethylphenylacetic acid, AB0065828, ST2404406, TR-039814, FT-0081525, FT-0651172, 2-Fluoro-4-(Trifluoromethy)phenylacetic Acid, 2-fluoror-4-trifluoromethyl phenylacetic acid, 2-Fluoro-4-(trifluoromethyl)-phenylacetic acid, A11642, C-6225, (2-Fluoro-4-trifluoromethyl-phenyl)-acetic acid, [2-fluoro-4-(trifluoromethyl)phenyl]acetic acid, 991F640, I14-93252, [2-Fluoro-4-(trifluoromethyl)phenyl]acetic acid, AldrichCPR, C9H6F4O2, 2-Chloro-4-fluorophenylacetic acid, 2-FLUORO-4- PHENYLACETICACID, CID3863567, 4-(Carboxymethyl)-3-fluorobenzotrifluoride, 2-Fluoro-4-(trifluoromethyl)phenylaceticacid, 177985-32-9,

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

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