AG003B93

62089-35-4 | 2-Methyl-3-(trifluoromethyl)benzoic acid

AG003B93

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CAS Number	62089-35-4
Catalog Number	AG003B93(AGN-PC-0KKWYF)
Chemical Name	2-Methyl-3-(trifluoromethyl)benzoic acid
IUPAC Name	2-methyl-3-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C9H7F3O2/c1-5-6(8(13)14)3-2-4-7(5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChI Key	SSCFPSMXIDAJDT-UHFFFAOYSA-N
MDL Number	MFCD01631588
Molecular Formula	C9H7F3O2
Molecular Weight	204.1459
SMILES	O=C(O)C1=CC=CC(C(F)(F)F)=C1C
Synonyms	2-methyl-3-(trifluoromethyl)benzoic Acid, 62089-35-4, 2-Methyl-3-trifluoromethylbenzoic acid, 2-METHYL-3-(TRIFLUOROMETHYL)BENZOICACID, MFCD01631588, Benzoic acid, 2-methyl-3-(trifluoromethyl)-, AC1MCQBQ, ACMC-209ws1, KSC614G1P, SCHEMBL697951, CTK5B4317, DTXSID90379595, SSCFPSMXIDAJDT-UHFFFAOYSA-N, 3-Carboxy-2-methylbenzotrifluoride, WT040, JRD-0928, KS-000010XB, ZINC2382288, ANW-46751, SBB093255, 2-Carboxy-6-(trifluoromethyl)toluene, 3-trifluoromethyl-2-methybenzoic acid, 3-trifluoromethyl-2-methylbenzoic acid, AKOS015956002, AC-9039, AM84145, AN-7423, CM12852, PS-8149, RP26074, TRA0027846, 2-methyl-3-trifluoromethyl-benzoic acid, AJ-34822, AK-61323, AT-34403, SC-65958, 2-methyl-3-(trifluoromethyl)-benzoic acid, AB0025868, ST2404485, TC-135496, Benzoic acid,2-methyl-3-(trifluoromethyl)-, FT-0084521, FT-0612934, W7416, Q-9368, 089M354, A833577, J-509947, 2-Methyl-3-(trifluoromethyl)benzoic acid, AldrichCPR, I14-55674, 62089-35-4 2-methyl-3-(trifluoromethyl)benzoic acid, C9H7F3O2, CID2775584, 3-(Chlorosulfonyl)-4,5-dimethylbenzoic acid,

Complexity	225
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	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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

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