AG002S7G

261952-01-6 | Benzoic acid, 4-methyl-3-(trifluoromethyl)-

AG002S7G

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CAS Number	261952-01-6
Catalog Number	AG002S7G(AGN-PC-0KKWYN)
Chemical Name	Benzoic acid, 4-methyl-3-(trifluoromethyl)-
IUPAC Name	4-methyl-3-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C9H7F3O2/c1-5-2-3-6(8(13)14)4-7(5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChI Key	CAPKAYDTKWGFQB-UHFFFAOYSA-N
MDL Number	MFCD01631592
Molecular Formula	C9H7F3O2
Molecular Weight	204.1459
SMILES	C1=C(C=CC(=C1C(F)(F)F)C)C(O)=O
Synonyms	4-Methyl-3-(trifluoromethyl)benzoic acid, 261952-01-6, 4-methyl-3-trifluoromethylbenzoic acid, 3-trifluoromethyl-4-methyl benzoic acid, 3-Trifluoromethyl-p-toluic acid, MFCD01631592, 4-Methyl-3-(trifluoromethyl)benzoicacid, Benzoic acid, 4-methyl-3-(trifluoromethyl)-, 4-methyl-3-trifluoromethyl-benzoic acid, 3-(trifluoromethyl)-4-methylbenzoic acid, 261952-01-6 4-Methyl-3-(trifluoromethyl)benzoic acid, PubChem2701, AC1MCQBY, ACMC-1CEUC, AC1Q2EDC, MTF-BOA-4ME, KSC496G9T, SCHEMBL374174, Jsp005152, RARECHEM AL BO 0960, RARECHEM AL BO 2141, CTK3J6399, DTXSID30379599, CAPKAYDTKWGFQB-UHFFFAOYSA-N, WT459, 3-(Trifluoromethyl)-p-toluic Acid, ACT00998, BCP24597, JRD-0932, ZINC2382294, ANW-25923, BBL100964, CM-433, EBD735452, SBB065756, STL554758, WT2216, AKOS005063922, AC-4001, AN-1079, AS01898, AS05009, CM12854, CS-W007459, LS10407, MCULE-4776657103, PB19929, PS-8150, QC-7670, RP26068, RTR-011906, TRA0026297, VZ29376, 3-trifluoromethyl-4-methyl-benzoic acid, 4-methyl-3-trifluoromethylbenzoic acid;, AJ-34826, AK-34430, BR-34430, SC-02986, 3-(trifluoromethyl)-4-methylbenzoic acid;, 4-methyl-3-(trifluoromethyl)-benzoic acid, 4-methyl-3-(trifluoromethyl)benzoic acid;, 4-methyl-3-(trifluoromethyl)-benzoic acid;, AB0023823, DB-002576, ST2418471, TL8002094, TR-011906, 4CH-015149, AM20040045, FT-0644158, M2708, ST50407430, W4962, KS-00000227, Q-4399, I04-0137, Q-101275, 4-Methyl-3-(trifluoromethyl)benzoic acid, AldrichCPR, Not Available, 4-Methyl-3- benzoicacid, C9H7F3O2, ACN-053255, CID2775592, 2-trifluoromethyl-4-methyl-benzoic acid, 4-methyl-2-(trifluoromethyl)benzoic Acid, A1615, 4-Methyl-3-(trifluoromethyl)benzoic acid, 97% 1g, 4-Methyl-3-(trifluoromethyl)benzoic acid, 97% - 25G 25g, (1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,

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

Lot Number