AG003NRG

433-97-6 | 2-(Trifluoromethyl)benzoic acid

AG003NRG

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CAS Number	433-97-6
Catalog Number	AG003NRG(AGN-PC-0WA5GJ)
Chemical Name	2-(Trifluoromethyl)benzoic acid
IUPAC Name	2-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
InChI Key	FBRJYBGLCHWYOE-UHFFFAOYSA-N
MDL Number	MFCD00002476
Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
NSC Number	88326
SMILES	O=C(O)C1=CC=CC=C1C(F)(F)F
UNII	0R1CK7MZUA
Synonyms	2-(trifluoromethyl)benzoic acid, 2-TFMBA, 2-trifluoromethylbenzoic acid, o-trifluoromethylbenzoic acid, ortho-trifluormethylbenzoic acid, 2-(Trifluoromethyl)benzoic acid, 433-97-6, 2-Trifluoromethylbenzoic acid, alpha,alpha,alpha-Trifluoro-o-toluic acid, o-Trifluoromethylbenzoic acid, 2-Trifluromethylbenzoic acid, o-CARBOXYBENZOTRIFLUORIDE, 2-Carboxybenzotrifluoride, UNII-0R1CK7MZUA, trifluoromethylbenzoic acid, 2-(trifluoromethyl)benzoate, Benzoic acid, 2-(trifluoromethyl)-, (Trifluoromethyl)benzoic acid, o-(trifluoromethyl)benzoic acid, OTF-BOA, 2-TFMBA, 0R1CK7MZUA, A,A,A-TRIFLUORO-O-TOLUIC ACID, 2-trifluoromethyl benzoic acid, o-(trifluoroformyl)benzoic acid, 2-(trifluoroformyl)benzoic acid, FBRJYBGLCHWYOE-UHFFFAOYSA-N, ortho-(trifluoromethyl)benzoic acid, MFCD00002476, 2-(Trifluoromethyl)benzoic acid, 98%, .alpha.,.alpha.,.alpha.-Trifluoro-o-toluic acid, EINECS 207-093-9, NSC 88326, PubChem14116, ACMC-1BKLH, Enamine_005364, AC1L1U2N, NCIOpen2_001264, KSC238E0N, o-trifluoromethyl benzoic acid, o-trifluoromethyl-benzoic acid, SCHEMBL221518, 2-trifluoromethyl-benzoic acid, 2-(Trifluoromethyl)benzoicAcid, AC1Q724J, PARAGOS 500064, ortho-trifluoromethylbenzoic acid, RARECHEM AL BO 0032, CHEBI:60694, CTK1D8206, HMS1409D18, WT125, ZINC156497, ACT00674, JRD-0667, KS-00000CB1, NSC88326, ANW-75490, NSC-88326, SBB063134, STK946190, AKOS000118808, AC-2625, AM61555, AS00861, BENZOIC ACID,(TRIFLUOROMETHYL)-, BS-4039, CM12889, CS-W015913, LS11178, MCULE-2565421137, PF10835, RL03664, RTR-036801, TRA0087074, 137938-95-5, AJ-13819, AK-35154, AN-13782, BR-35154, SC-25847, SY002327, AB0008365, AB1004080, DB-023811, DB-030751, ST2409429, TL8003054, TR-036801, 433-97-6 2-(trifluoromethyl)benzoic acid, FT-0608957, FT-0695424, ST50406430, MFCD00002476 (98%), A20005, A21848, Q-9311, I01-0524, W-106233, Z56922112, F2191-0057, 2-(Trifluoromethyl)benzoic;a,a,a-trifluoro-o-toluic acid;?,?,?-trifluoro-o-toluic acid, O-Trifluoromethylbenzoic acid; (alpha,alpha,alpha-Trifluoro-o-tolyl)acetic acid, Benzoic acid, trifluoromethyl-, C8H5F3O2, CID9899, C8-H5-F3-O2, 2-(Trifluoromethyl)phenylacetic acid, EINECS 276-274-2, ACN-050295, T1302, 2-(Trifluoromethyl)benzoic acid, 98% - 5G 5g, |A,|A,|A-Trifluoro-o-toluic acid; 2-Carboxybenzotrifluoride, 3038-48-0, 71990-01-7,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.121g/mol
Monoisotopic Mass	190.024g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number