AG003L2D

142994-09-0 | 4-Chloro-2-(trifluoromethyl)benzoic acid

AG003L2D

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CAS Number	142994-09-0
Catalog Number	AG003L2D(AGN-PC-0KKVQO)
Chemical Name	4-Chloro-2-(trifluoromethyl)benzoic acid
IUPAC Name	4-chloro-2-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4ClF3O2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H,13,14)
InChI Key	RKZXXMAQKMOZLK-UHFFFAOYSA-N
MDL Number	MFCD03094162
Molecular Formula	C8H4ClF3O2
Molecular Weight	224.5644
SMILES	OC(=O)C1=C(C=C(Cl)C=C1)C(F)(F)F
Synonyms	4-Chloro-2-(trifluoromethyl)benzoic acid, 142994-09-0, Benzoic acid, 4-chloro-2-(trifluoromethyl)-, MFCD03094162, AC1MCNK8, Intermediates-ZCF02089, ACMC-20a63a, SCHEMBL427243, CTK6G7599, DTXSID40378755, RKZXXMAQKMOZLK-UHFFFAOYSA-N, JRD-1311, ZINC2243106, ANW-58820, BBL100441, SBB096711, STL554235, 4-chloro-2-trifluoromethylbenzoic acid, AKOS005254513, AM61309, CS-W013059, TRA0085822, AJ-34192, AK-61565, AN-11963, DS-14789, SC-42531, SY023232, AB0042318, DB-063454, RT-009551, 4CH-023803, FT-0702993, ST24043544, TL80074018, Z0187, Q-8890, MFCD03094162 (97+%), 4-Chloro-alpha,alpha,alpha-trifluoro-o-toluic Acid, I01-8322, C8H4ClF3O2, CID2773856, C3285,

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

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