AG004R06

845823-12-3 | 1-(3，5-Difluorophenyl)-2，2，2-trifluoroethanone

AG004R06

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CAS Number	845823-12-3
Catalog Number	AG004R06(AGN-PC-0USI8Z)
Chemical Name	1-(3，5-Difluorophenyl)-2，2，2-trifluoroethanone
IUPAC Name	1-(3,5-difluorophenyl)-2,2,2-trifluoroethanone
InChI	InChI=1S/C8H3F5O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H
InChI Key	VPJBBHOADBTNFQ-UHFFFAOYSA-N
MDL Number	MFCD01319993
Molecular Formula	C8H3F5O
Molecular Weight	210.1008
SMILES	FC(F)(F)C(C1=CC(F)=CC(F)=C1)=O
Synonyms	845823-12-3, 1-(3,5-difluorophenyl)-2,2,2-trifluoroethanone, 2,2,2,3',5'-Pentafluoroacetophenone, 1-(3,5-difluorophenyl)-2,2,2-trifluoroethan-1-one, 2,2,2-trifluoro-3',5'-difluoroacetophenone, 2,2,2,3'5'-pentafluoroacetophenone, 3',5'-Difluoro-2,2,2-trifluoroacetophenone, 1-(3,5-difluorophenyl)-2,2,2-trifluoro-ethanone, 1-(3,5-difluoro-phenyl)-2,2,2-trifluoro-ethanone, 1-(3,5-Difluoro-phenyl)-2,2,2-trifluoro ethanone, 1-[3,5-bis(fluoranyl)phenyl]-2,2,2-tris(fluoranyl)ethanone, PubChem13687, AC1MC2CF, SCHEMBL3644955, CTK8B4235, KS-00000JUI, DTXSID90375097, VPJBBHOADBTNFQ-UHFFFAOYSA-N, ZINC2378572, ANW-44425, CL8646, SBB094292, AKOS012259167, 1,1,1,3',5'-pentafluoroacetophenone, AB08943, AS05176, DS-2066, MCULE-2003609465, AJ-34544, AK-36529, AN-27229, CJ-08077, SY047596, AB0034267, DB-076077, RT-006674, ST2414966, FT-0646594, ST51042125, X8389, 2,2,2,3',5'-PENTFLUOROACETOPHENONE, MFCD01319993 (95%), M-8038, 3,5-DIFLUOROPHENYL TRIFLUOROMETHYL KETONE, 823P123, A835027, A840857, 2,2,2,3 inverted exclamation mark ,5 inverted exclamation mark -Pentafluoroacetophenone, C8H3F5O, ZINC02378572, CID2760288, 2,2,2,3',5'-Pentafluoroacetophenone, 97% - 5G 5g, 652-29-9,

Complexity	214
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	2.9

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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