AG002ZIC

302912-28-3 | Ethanone, 1-(3,4-difluorophenyl)-2,2,2-trifluoro-

AG002ZIC

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CAS Number	302912-28-3
Catalog Number	AG002ZIC(AGN-PC-0KY88J)
Chemical Name	Ethanone, 1-(3,4-difluorophenyl)-2,2,2-trifluoro-
IUPAC Name	1-(3,4-difluorophenyl)-2,2,2-trifluoroethanone
InChI	InChI=1S/C8H3F5O/c9-5-2-1-4(3-6(5)10)7(14)8(11,12)13/h1-3H
InChI Key	WEKSIOBQIQXAEE-UHFFFAOYSA-N
MDL Number	MFCD01319992
Molecular Formula	C8H3F5O
Molecular Weight	210.1008
SMILES	FC1=C(F)C=C(C(C(F)(F)F)=O)C=C1
Synonyms	2,2,2,3',4'-Pentafluoroacetophenone, 302912-28-3, 1-(3,4-difluorophenyl)-2,2,2-trifluoroethanone, 1-(3,4-difluorophenyl)-2,2,2-trifluoroethan-1-one, ETHANONE, 1-(3,4-DIFLUOROPHENYL)-2,2,2-TRIFLUORO-, AC1MUEKO, SCHEMBL15920928, CTK7F4481, DTXSID20394817, WEKSIOBQIQXAEE-UHFFFAOYSA-N, ZINC2378571, MFCD01319992, SBB094296, AKOS012260129, AB08939, RT-018430, 2,2,2,3',4'-Pentafluoroacetophenone, 95%, alpha,alpha,alpha,3',4'-Pentafluoroacetophenone, 1-(3,4-difluoro-phenyl)-2,2,2-trifluoro-ethanone, 2 2 2 3' 4'-PENTAFLUOROACETOPHENONE 95, J-017878, InChI=1/C8H3F5O/c9-5-2-1-4(3-6(5)10)7(14)8(11,12)13/h1-3, CID3664840, 2223'4'-PENTAFLUOROACETOPHENONE95, 1-(3,4-difluorophenyl)-2,2,2-trifluoro-ethanone, Ethanone, 1-(3,4-difluorophenyl)-2,2,2-trifluoro- (9CI),

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.103g/mol
Monoisotopic Mass	210.01g/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

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Hazard statements	H226
Precautionary statements

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