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2,3,4-Trifluorophenacyl bromide

CAT: 0127-PC49998-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC49998-01Size:250 mg
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CAS Number
1214345-02-4
MDL Number
MFCD13194476
Purity
=95%
Smiles
Fc1ccc(C(=O)CBr)c(F)c1F

Chemical Information

2,3,4-Trifluorophenacyl bromide
CAS Number1214345-02-4
PubChem CID79021603
IUPAC Name2-bromo-1-(2,3,4-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(=C1C(=O)CBr)F)F)F
InChI
InChI=1S/C8H4BrF3O/c9-3-6(13)4-1-2-5(10)8(12)7(4)11/h1-2H,3H2
InChIKey
AYNKOTZEDGHCPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,4-Trifluorophenacyl bromide
CAS: 1214345-02-4
CID: 79021603
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
sc-356785A3,4,5-Trifluorophenacyl bromide
sc-356554A2,4,6-Trifluorophenacyl bromide
sc-3565522,4,5-Trifluorophenacyl bromide
sc-356546A2,3,6-Trifluorophenacyl bromide
sc-2256232,3,4-Trifluorobenzyl bromide
419910-012,3,4-Tribenzyloxybenzyl Bromide
sc-2989753-Chloro-2,4-difluorobenzyl bromide
sc-2659782,3-Difluoro-4-methylbenzyl bromide
sc-2659732,3-Difluoro-4-methoxybenzyl bromide
sc-2660782,4-Difluoro-3-methoxybenzyl bromide

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