chempirical

Bromodifluoroacetyl chloride

C2BrClF2OCAS 3832-48-2193.37 g/mol

Open in Covalent MOL file
OClFFBr
Acyl halideAlkyl halide

Properties

Molecular formula
C2BrClF2O
Molar mass
193.37 g/mol
Exact mass
191.8789 Da
Boiling point
50 °C
logP
1.74Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
3832-48-2
SMILES
O=C(Cl)C(F)(F)Br
InChIKey
LYJKGSALBRSKNL-UHFFFAOYSA-N
InChI
InChI=1S/C2BrClF2O/c3-2(5,6)1(4)7

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Names and synonyms

3 names
  • Acetyl chloride, 2-bromo-2,2-difluoro-
  • Acetyl chloride, bromodifluoro-
  • 2-Bromo-2,2-difluoroacetyl chloride

Work with Bromodifluoroacetyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trifluoroacetyl chloride354-32-550 % similar 2,2,3,3-Tetrafluorobutanedioyl dichloride356-15-050 % similar 2-Chloro-2,2-difluoroacetyl chloride354-24-548 % similar 2-Bromo-2,2-difluoroacetic acid354-08-544 % similar 2,2,3,3,4,4-Hexafluoropentanedioyl dichloride678-77-344 % similar Perfluorooctanoyl chloride335-64-841 % similar Heptafluorobutyryl chloride375-16-639 % similar Trichloroacetyl chloride76-02-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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