AG001Q65

158401-00-4 | Ethanone, 2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)-

AG001Q65

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CAS Number	158401-00-4
Catalog Number	AG001Q65(AGN-PC-0C5LGI)
Chemical Name	Ethanone, 2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)-
IUPAC Name	2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)ethanone
InChI	InChI=1S/C8H2Cl3F3O/c9-4-1-3(2-5(10)6(4)11)7(15)8(12,13)14/h1-2H
InChI Key	NVMZCQYOSPFJLE-UHFFFAOYSA-N
MDL Number	MFCD25460357
Molecular Formula	C8H2Cl3F3O
Molecular Weight	277.4551
SMILES	ClC1=C(Cl)C(Cl)=CC(C(C(F)(F)F)=O)=C1
Synonyms	2,2,2-Trifluoro-1-(3,4,5-trichlorophenyl)ethanone, 158401-00-4, 2,2,2-Trifluoro-1-(3,4,5-trichlorophenyl)ethan-1-one, AK136290, 3',4',5'-trichloro-2,2,2-trifluoroacetophenone, SCHEMBL113432, KS-00000RNM, DTXSID30728760, NVMZCQYOSPFJLE-UHFFFAOYSA-N, MFCD25460357, AKOS022171776, ZINC100086891, CS-W006459, DS-5371, SC-82437, AX8257858, 4CH-004595, ST24038388, 2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)-ethanone, 2,2,2-trifluoro-1-(3,4,5-trichloro-phenyl)-ethanone, Ethanone, 2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)-,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.912g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	277.448g/mol
Monoisotopic Mass	275.912g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

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

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