AG00EBQ3

5860-95-7 | 2'-Chloro-2,2,2-trifluoroacetophenone

AG00EBQ3

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CAS Number	5860-95-7
Catalog Number	AG00EBQ3(AGN-PC-0SQ4SQ)
Chemical Name	2'-Chloro-2,2,2-trifluoroacetophenone
IUPAC Name	1-(2-chlorophenyl)-2,2,2-trifluoroethanone
InChI	InChI=1S/C8H4ClF3O/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4H
InChI Key	RAOQEOLDFDHACL-UHFFFAOYSA-N
MDL Number	MFCD02260827
Molecular Formula	C8H4ClF3O
Molecular Weight	208.5650
SMILES	FC(F)(F)C(=O)C1=C(Cl)C=CC=C1
Synonyms	5860-95-7, 1-(2-Chlorophenyl)-2,2,2-trifluoroethanone, 2'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE, 2-chloro-2,2,2-trifluoroacetophenone, 1-(2-CHLOROPHENYL)-2,2,2-TRIFLUOROETHAN-1-ONE, 2'-Chloro-2,2,2-trifluoracetophenone, SCHEMBL1471234, CTK5A8597, DTXSID70616571, RAOQEOLDFDHACL-UHFFFAOYSA-N, ZINC2579822, 8699AB, ANW-58408, MFCD02260827, AKOS010990272, AB11736, AS01346, AJ-42869, AB0050487, TC-147153, 4CH-005863, Ethanone,1-(2-chlorophenyl)-2,2,2-trifluoro-, 1-(2-CHLORO-PHENYL)-2,2,2-TRIFLUORO-ETHANONE, C8H4ClF3O,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.99g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.564g/mol
Monoisotopic Mass	207.99g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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