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2,3,6-Trifluorophenacyl bromide

CAT: 0024-sc-356546ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-356546ASize:5 g
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CAS Number
886762-81-8

Chemical Information

2,3,6-Trifluorophenacyl bromide
CAS Number886762-81-8
PubChem CID2783184
IUPAC Name2-bromo-1-(2,3,6-trifluorophenyl)ethanone
Molecular FormulaC8H4BrF3O
Molecular Weight253.02
XLogP2.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity200
SMILES
C1=CC(=C(C(=C1F)C(=O)CBr)F)F
InChI
InChI=1S/C8H4BrF3O/c9-3-6(13)7-4(10)1-2-5(11)8(7)12/h1-2H,3H2
InChIKey
QHDMYLKOXLOJJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,6-Trifluorophenacyl bromide
CAS: 886762-81-8
CID: 2783184
Formula: C8H4BrF3O
MW: 253.02
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.02
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass251.93976
Monoisotopic Mass251.93976
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity200
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
PC10426-012,3,6-Trifluorophenacyl bromide
PC10424-012,4,6-Trifluorophenacyl bromide
PC49998-012,3,4-Trifluorophenacyl bromide
PC10423-012,4,5-Trifluorophenacyl bromide
PC10407-013,4,5-Trifluorophenacyl bromide
PC5024143-Bromo-2,4,5-trifluorophenacyl bromide
PC7285P-012,3,6-Trifluorobenzyl bromide
HXC19348-016-Bromo-2,3-difluorobenzyl bromide
PC303099-016-Chloro-2,3-difluorobenzyl bromide
PC303148-013-Butoxy-2,6-difluorobenzyl bromide

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