AG006V43

2376-00-3 | 2-Chloro-6-(Trifluoromethyl)be

AG006V43

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CAS Number	2376-00-3
Catalog Number	AG006V43(AGN-PC-0NGCAW)
Chemical Name	2-Chloro-6-(Trifluoromethyl)be
IUPAC Name	2-chloro-6-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4ClF3O2/c9-5-3-1-2-4(8(10,11)12)6(5)7(13)14/h1-3H,(H,13,14)
InChI Key	OHWGZCNPFKBCDJ-UHFFFAOYSA-N
MDL Number	MFCD06208254
Molecular Formula	C8H4ClF3O2
Molecular Weight	224.5644
SMILES	O=C(O)C1=C(C(F)(F)F)C=CC=C1Cl
Synonyms	2-chloro-6-(trifluoromethyl)benzoic Acid, 2376-00-3, Benzoic acid, 2-chloro-6-(trifluoromethyl)-, MFCD06208254, 2-Chloro-6-trifluoromethylbenzoic acid, 6-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-O-TOLUIC ACID, 2-Chloro-6-(trifluoromethyl)be, Intermediates-ZCF02636, SCHEMBL784920, CTK0I7760, DTXSID40456229, OHWGZCNPFKBCDJ-UHFFFAOYSA-N, SBB096704, ZINC38284215, 2-trifluoromethyl-6-chlorobenzoic acid, AKOS015956484, CM12606, 6-chloro-2-(trifluoromethyl)benzoic acid, AJ-94926, AK135174, AS-18833, DA-17892, SC-68790, AB0030596, FT-0735165, ST24040394, X2804, 2-Chloro-6-(trifluoromethyl)benzoic acid, JRD, Q-8853, C8H4ClF3O2, ACN-038453, CID11127965,

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	2.8

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