AG003JFP

238754-67-1 | 3-Fluoro-4-(trifluoromethyl)phenylacetic acid

AG003JFP

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CAS Number	238754-67-1
Catalog Number	AG003JFP(AGN-PC-0KK8MJ)
Chemical Name	3-Fluoro-4-(trifluoromethyl)phenylacetic acid
IUPAC Name	2-[3-fluoro-4-(trifluoromethyl)phenyl]acetic acid
InChI	InChI=1S/C9H6F4O2/c10-7-3-5(4-8(14)15)1-2-6(7)9(11,12)13/h1-3H,4H2,(H,14,15)
InChI Key	ZFOWDXKJQNNLMW-UHFFFAOYSA-N
MDL Number	MFCD00236303
Molecular Formula	C9H6F4O2
Molecular Weight	222.1364
SMILES	O=C(O)CC1=CC=C(C(F)(F)F)C(F)=C1
Synonyms	3-Fluoro-4-(trifluoromethyl)phenylacetic acid, 238754-67-1, 2-[3-fluoro-4-(trifluoromethyl)phenyl]acetic Acid, 3-Fluoro-4-(trifluoromethyl) phenylacetic acid, 2-(3-fluoro-4-(trifluoromethyl)phenyl)acetic acid, Benzeneacetic acid, 3-fluoro-4-(trifluoromethyl)-, MFCD00236303, 3-fluoro-4-(trifluoromethyl) phenylaceticacid, (3-Fluoro-4-trifluoromethyl-phenyl)-acetic acid, [3-fluoro-4-(trifluoromethyl)phenyl]acetic acid, PubChem4186, ACMC-1CHKO, AC1MC7JH, Intermediates-ZCF02641, AC1Q74WN, KSC552I6P, SCHEMBL287631, RARECHEM AL BO 0856, CTK4F2467, KS-00000ZUF, DTXSID50372163, ZFOWDXKJQNNLMW-UHFFFAOYSA-N, ACT12812, JRD-0588, ZINC2560197, ANW-44983, CF-967, SBB064376, AKOS005258571, AC-4195, AS01974, CM13714, PS-7832, RP27371, TRA0088893, VZ26796, AJ-40505, AN-12246, 4-(Carboxymethyl)-2-fluorobenzotrifluoride, AB0065791, DB-046280, ST2417697, TR-011057, 3-Fluoro-4-(trifluoromethyl)phenylaceticacid, FT-0644087, Z4467, 3-Fluoro-4-(Trifluoromethyl)phenyl acetic acid, A21818, C-5793, Benzeneacetic acid,3-fluoro-4-(trifluoromethyl)-, I01-4727, J-512478, 3 - Fluoro - 4 - (trifluoromethyl)phenylacetic acid, [3-Fluoro-4-(trifluoromethyl)phenyl]acetic acid, AldrichCPR, C9H6F4O2, 3-FLUORO-4- PHENYLACETICACID, ACN-055683, CID2737591, 110683-23-3,

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	P280-P305+P351+P338
UN Code

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