AG001Z59

1737-36-6 | Benzoic acid, 4-​chloro-​3-​(trifluoromethyl)​-

AG001Z59

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CAS Number	1737-36-6
Catalog Number	AG001Z59(AGN-PC-0KKVQP)
Chemical Name	Benzoic acid, 4-​chloro-​3-​(trifluoromethyl)​-
IUPAC Name	4-chloro-3-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4ClF3O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14)
InChI Key	PPHHAZOVVZBSCM-UHFFFAOYSA-N
MDL Number	MFCD01631468
Molecular Formula	C8H4ClF3O2
Molecular Weight	224.5644
SMILES	C(F)(F)(F)c1cc(C(=O)O)ccc1Cl
Synonyms	4-Chloro-3-(trifluoromethyl)benzoic acid, 1737-36-6, Benzoic acid, 4-chloro-3-(trifluoromethyl)-, 5-Carboxy-2-chlorobenzotrifluoride, MFCD01631468, 4-chloro-3-trifluoromethyl-benzoic acid, 3-(Trifluoromethyl)-4-chlorobenzoic acid, 4-chloro-3-(trifluoromethyl) benzoic acid, PubChem4588, AC1MCNKA, Intermediates-ZCF02292, KSC496A8T, SCHEMBL375961, 4-chloro-3-(trifluoromethyl), Jsp003551, CTK3J6089, DTXSID00378756, PPHHAZOVVZBSCM-UHFFFAOYSA-N, JRD-1183, ZINC2382125, ANW-22674, SBB065021, 4-chloro-3-trifluoromethylbenzoic acid, AKOS005258533, CS-W002794, PS-7788, RTR-007701, TRA0081907, 4-chloro-3-trifluoromethyl benzoic acid, 4-chlor-3-(trifluoromethyl)benzoic acid, 4-Chloro-3-(trifluoromethyl)benzioc acid, AJ-34753, AK-28891, BR-28891, SY023669, 4-Chloro-3-(trifluoromethyl)-benzoic acid, 4-chloro-3-(trifluoromethyl)benzioc acid, AB0022851, ST2411296, TR-007701, AM20050266, FT-0645924, ST50407384, W3792, 4-chloro-3-(trifluoromethyl)benzoic acid 97%, S-1423, 4-chloro-3-(trifluoromethyl)benzoic acid, 97+%, MFCD01631468 (97+%), 4 - Chloro - 3 - (trifluoromethyl)benzoic acid, 4-Chloro-alpha,alpha,alpha-trifluoro-m-toluic Acid, I01-6707, J-515032, F2191-0116, Z1741958255, C8H4ClF3O2, RARECHEM AL BO 0816, 4-Chloro-3-(trifluoromethoxy)benzoic acid, CID2773857, 4-Chloro-3-trifluoromethoxy-benzoic acid, C2803,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.985g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.563g/mol
Monoisotopic Mass	223.985g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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