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2,2,2,3',5'-Pentafluoroacetophenone

CAT: 0127-PC5101-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-PC5101-01Size:5 g
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CAS Number
845823-12-3
Synonyms
1- (3,5-Difluorophenyl) -2,2,2-trifluoroethan-1-one
MDL Number
MFCD01319993
Purity
=95%
Smiles
Fc1cc(F)cc(c1)C(=O)C(F)(F)F

Chemical Information

1-(3,5-Difluorophenyl)-2,2,2-trifluoroethanone
CAS Number845823-12-3
PubChem CID2760288
IUPAC Name1-(3,5-difluorophenyl)-2,2,2-trifluoroethanone
Molecular FormulaC8H3F5O
Molecular Weight210.10
XLogP2.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity214
SMILES
C1=C(C=C(C=C1F)F)C(=O)C(F)(F)F
InChI
InChI=1S/C8H3F5O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H
InChIKey
VPJBBHOADBTNFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3,5-Difluorophenyl)-2,2,2-trifluoroethanone
CAS: 845823-12-3
CID: 2760288
Formula: C8H3F5O
MW: 210.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.10
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass210.01040553
Monoisotopic Mass210.01040553
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity214
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-2601632,2,2,3',5'-Pentafluoroacetophenone
sc-2307312,2,2,3',4'-Pentafluoroacetophenone
sc-2384382',3',4',5',6'-Pentafluoroacetophenone
sc-2630562-Bromo-2',3',4',5',6'-pentafluoroacetophenone
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KBA69404-012,2',3,3',5,5'-Hexachlorobiphenyl
sc-3095783- (2,2,3,3-Tetrafluoropropoxy) -5- (2,2,2-trifluoroethoxy) aniline
sc-3366535- (2,2,2-Trifluoroacetyl) -2,3-dihydrobenzofuran
RBA46439-012,2',3,5'-Tetrachlorobiphenyl
sc-4988552,5-Dihydro-3- (mercaptomethyl) -2,2,5,5-tetramethylpyrrol

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