AG00GRM3

92736-81-7 | 1-(2,4-DICHLORO-PHENYL)-2,2,2-TRIFLUORO-ETHANONE

AG00GRM3

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CAS Number	92736-81-7
Catalog Number	AG00GRM3(AGN-PC-00MN4F)
Chemical Name	1-(2,4-DICHLORO-PHENYL)-2,2,2-TRIFLUORO-ETHANONE
IUPAC Name	1-(2,4-dichlorophenyl)-2,2,2-trifluoroethanone
InChI	InChI=1S/C8H3Cl2F3O/c9-4-1-2-5(6(10)3-4)7(14)8(11,12)13/h1-3H
InChI Key	MKBRURHQKRNOCM-UHFFFAOYSA-N
MDL Number	MFCD02260844
Molecular Formula	C8H3Cl2F3O
Molecular Weight	243.0100
SMILES	C(=O)(C(F)(F)F)c1c(Cl)cc(Cl)cc1
Synonyms	92736-81-7, 1-(2,4-Dichlorophenyl)-2,2,2-trifluoroethanone, 2',4'-DICHLORO-2,2,2-TRIFLUOROACETOPHENONE, 1-(2,4-Dichloro-phenyl)-2,2,2-trifluoro-ethanone, 1-(2,4-DICHLOROPHENYL)-2,2,2-TRIFLUOROETHAN-1-ONE, SCHEMBL10580560, CTK5H1649, DTXSID60541328, ZINC2579839, ANW-45029, MFCD02260844, AKOS015899767, AB11775, AK-92914, ST2414922, TC-133774, W9558, 736D817, J-502905, Ethanone, 1-(2,4-dichlorophenyl)-2,2,2-trifluoro-, I14-11035, C8H3Cl2F3O, 1-(2,4-dichlorophenyl)-2,2,2-trifluoroethane-1,1-diol,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.951g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.006g/mol
Monoisotopic Mass	241.951g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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