AG003547

351-35-9 | 3-(Trifluoromethyl)phenylacetic acid

AG003547

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CAS Number	351-35-9
Catalog Number	AG003547(AGN-PC-0JL7Z3)
Chemical Name	3-(Trifluoromethyl)phenylacetic acid
EC Number	206-511-7
IUPAC Name	2-[3-(trifluoromethyl)phenyl]acetic acid
InChI	InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key	BLXXCCIBGGBDHI-UHFFFAOYSA-N
MDL Number	MFCD00004339
Molecular Formula	C9H7F3O2
Molecular Weight	204.1459
SMILES	O=C(O)Cc1cccc(c1)C(F)(F)F
Synonyms	3-(Trifluoromethyl)phenylacetic acid, 351-35-9, m-(trifluoromethyl)phenylacetic acid, 2-[3-(trifluoromethyl)phenyl]acetic acid, 2-(3-(trifluoromethyl)phenyl)acetic acid, Benzeneacetic acid, 3-(trifluoromethyl)-, 3-Trifluoromethylphenylacetic acid, [3-(trifluoromethyl)phenyl]acetic acid, (alpha,alpha,alpha-Trifluoro-m-tolyl)acetic acid, MFCD00004339, (a,a,a-trifluoro-m-tolyl)acetic acid, 3-(Carboxymethyl)benzotrifluoride, BLXXCCIBGGBDHI-UHFFFAOYSA-N, (alpha,alpha,alpha-Trifluoro-3-tolyl)acetic acid, EINECS 206-511-7, PubChem7374, ACMC-1CLF3, KSC489O1P, SCHEMBL378581, AC1L284E, AC1Q74W6, RARECHEM AL BO 0127, DTXSID8059849, BLXXCCIBGGBDHI-UHFFFAOYSA-, CTK3I9717, KS-00000CRM, TIMTEC-BB SBB000433, m-Trifluoromethylphenylacetic acid, m-trifluoromethylphenyl acetic acid, ZINC119824, 3'-Trifluoromethylbenzenacetic acid, 3-(Trifluoromethyl)phenylaceticAcid, 3-trifluoromethyl-phenylacetic acid, 3-trifluoromethylphenyl acetic acid, ACN-S004334, JRD-0236, (3-trifluoromethylphenyl)acetic acid, 3-trifluoromethyl- phenylacetic acid, ANW-28082, BBL022992, CT-173, SBB000433, STK374500, WT1670, (3-trifluoromethylphenyl)-acetic acid, 3-(trifluoromethyl)-phenylacetic acid, AKOS000119412, (3-trifluoromethyl-phenyl)-acetic acid, AN-6177, AS00546, CM13742, CS-W015433, MCULE-4581498631, PF10999, PS-8154, RP26071, RTR-033200, VZ26167, AC-25733, AJ-11625, AK-25829, BC227539, BR-25829, O788, SC-03749, SY016805, 3-TRIFLUOROMETHYL PHENYLACETIC ACID, 3-(Trifluoromethyl)phenylacetic acid, 97%, DB-000174, DB-051952, ST2410401, TL8002618, TR-033200, AM20060022, FT-0613950, ST50307522, MFCD00004339 (98%), 351-35-9 3-trifluoromethyl phenylacetic acid, 51T359, S-1758, AE-562/13465019, I01-0499, W-106691, (.alpha.,.alpha.,.alpha.-Trifluoro-m-tolyl)acetic acid, F2191-0127, Z199056488, (ALPHA,ALPHA,ALPHA-TRIFLUORO-META-TOLYL)ACETIC ACID, 3-(Trifluoromethyl)phenylacetic acid, purum, >=99.0% (T), InChI=1/C9H7F3O2/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14), qv1r cxfff, C9H7F3O2, C9-H7-F3-O2, CID67695, AR-1L2997, m-(Trifluoromethyl) phenylacetic acid, ACN-040309, T1662, 3-(Trifluoromethyl)phenylacetic acid, 99% - 1G 1g, 1186-11-4,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.04g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.148g/mol
Monoisotopic Mass	204.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number