AG00379L

39226-97-6 | 2-Chloro-3-(Trifluoromethyl)Benzoic Acid

AG00379L

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CAS Number	39226-97-6
Catalog Number	AG00379L(AGN-PC-0KK7ZP)
Chemical Name	2-Chloro-3-(Trifluoromethyl)Benzoic Acid
IUPAC Name	2-chloro-3-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4ClF3O2/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3H,(H,13,14)
InChI Key	AXOAWWUSRZCGKS-UHFFFAOYSA-N
MDL Number	MFCD00792415
Molecular Formula	C8H4ClF3O2
Molecular Weight	224.5644
SMILES	OC(=O)c1cccc(c1Cl)C(F)(F)F
Synonyms	2-Chloro-3-(trifluoromethyl)benzoic acid, 39226-97-6, 2-chloro-3-trifluoromethylbenzoic acid, 2-Chloro-3-trifluoromethyl-benzoic acid, MFCD00792415, 2-Chloro-3-trifluoromethyl benzoic acid, AK-30000, Benzoic acid, 2-chloro-3-(trifluoromethyl)-, 2-CHLORO-3-(TRIFLUOROMETHYL)BENZOICACID, ACMC-1AHJ6, KSC496E0B, SCHEMBL422330, AC1MC649, RARECHEM AL BE 0475, RARECHEM AL BE 0520, RARECHEM AL BO 0356, RARECHEM AL BO 0727, RARECHEM AL BO 1010, RARECHEM AL BO 1047, RARECHEM AL BO 1589, CTK3J6200, DTXSID80371523, AXOAWWUSRZCGKS-UHFFFAOYSA-N, ZERENEX E/7111026, 3-Carboxy-2-chlorobenzotrifluoride, WT213, AC1Q7273, ACT00622, JRD-0788, KS-00000M3K, ZINC2569254, ZX-AP003035, ANW-29040, BBL101237, PC6734, SBB052637, STL555033, 2-Chloro-3-trifluromethylbenzoic acid, AKOS005258234, AC-3938, AS01836, CC-1145, CM12604, FCH1321950, HCH0019053, MCULE-7442360617, PS-7789, RP27529, RTX-011748, VZ24188, 2-chloro-3-(triflouromethyl)benzoic acid, 3-CHLORO-5-CARBOXYBENZOTRIFLUORIDE, AJ-41689, AN-12491, BR-30000, CC-09838, SC-04114, SY007751, 2-chloro-3-(trifluoromethyl)-benzoic acid, AB0031306, AX8005622, DB-020775, ST2409778, 4CH-002579, AM20060116, CS-0041961, FT-0611701, ST50407326, X4331, MFCD00792415 (95%), TL800742095, B-3060, C-12703, I01-4816, J-508627, 39226-97-6 2-chloro-3-(trifluoromethyl)benzoic acid, C8H4ClF3O2, RARECHEM AL BO 0816, ACN-056553, CID2736677, 2-chloro-4-(trifluoromethyl)benzoic Acid, 2-Chloro-5-(trifluoromethyl)benzoic acid, 2-chloro-6-(trifluoromethyl)benzoic Acid, 3-chloro-2-(trifluoromethyl)benzoic Acid, 3-chloro-4-(trifluoromethyl)benzoic acid, 3-chloro-5-(trifluoromethyl)benzoic Acid, 3-Chloro-6-trifluoro-methyl benzoic acid, 4-Chloro-2-(trifluoromethyl)benzoic acid, 4-Chloro-3-(trifluoromethyl)benzoic acid, 5-Chloro-2-(trifluoromethyl)benzoic acid, Benzoic acid, 2-chloro-4-(trifluoromethyl)-, benzoic acid, 2-chloro-5-(trifluoromethyl)-, 6-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-O-TOLUIC ACID,

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

Certificate of Analysis

Lot Number