AG003CTM

71648-45-8 | 1-(2-Chloro-5-(trifluoromethyl)phenyl)ethanone

AG003CTM

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CAS Number	71648-45-8
Catalog Number	AG003CTM(AGN-PC-0JMTXU)
Chemical Name	1-(2-Chloro-5-(trifluoromethyl)phenyl)ethanone
IUPAC Name	1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone
InChI	InChI=1S/C9H6ClF3O/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-4H,1H3
InChI Key	YRGBMTWHOFQSDJ-UHFFFAOYSA-N
MDL Number	MFCD00045092
Molecular Formula	C9H6ClF3O
Molecular Weight	222.5915
SMILES	C(=O)(C)c1cc(C(F)(F)F)ccc1Cl
Synonyms	71648-45-8, 2'-Chloro-5'-(trifluoromethyl)acetophenone, 1-(2-chloro-5-(trifluoromethyl)phenyl)ethanone, 2-Chloro-5-(trifluoromethyl)acetophenone, 1-[2-Chloro-5-(trifluoromethyl)phenyl]ethan-1-one, 1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone, Acetophenone, 2-chloro-5-trifluoromethyl-, 3-Acetyl-4-chlorobenzotrifluoride, Ethanone, 1-[2-chloro-5-(trifluoromethyl)phenyl]-, MFCD00045092, Ethanone,1-[2-chloro-5-(trifluoromethyl)phenyl]-, 1-acetyl-2-chloro-5-(trifluoromethyl)benzene, PubChem4210, PubChem7144, AC1L3PBR, SCHEMBL1199588, CTK5D4793, DTXSID60221895, ACT12926, JRD-1189, KS-00000C5K, ZINC4280832, 1123AC, SBB064945, AKOS015850042, AC-1567, AM62086, AS04029, CS-W002221, MCULE-1367069188, PS-7814, QC-7507, TRA0097241, VZ21845, AJ-50122, AN-14802, SC-06478, SY027502, AB0068499, Acetophenone, 2-chloro-5-trifluoromethyl-,, DB-020843, TR-023539, FT-0611803, ST24037077, ST50320208, A19701, Y-9476, MFCD00045092 (97+%), 2'-Chloro-5'-(trifluoromethyl)acetophenone, 97%, I01-6446, 1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-ETHANONE, 2 inverted exclamation mark -Chloro-5 inverted exclamation mark -(trifluoromethyl)acetophenone, C9H6ClF3O, 2'-CHLORO-5'- ACETOPHENONE, CID144502, ZINC04280832, ACN-055916, C3336,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.006g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.591g/mol
Monoisotopic Mass	222.006g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319
Packing Group
Precautionary statements	P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
UN Code	\N

Certificate of Analysis

Lot Number