chempirical

Acetyl bromide

C2H3BrOCAS 506-96-7122.95 g/mol

Open in Covalent MOL file
OBr
Acyl halide

Properties

Molecular formula
C2H3BrO
Molar mass
122.95 g/mol
Exact mass
121.9367 Da
Density
1.52 g/mL (at 9 °C)
Melting point
−96 °C
Boiling point
76 °C
logP
0.93Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
506-96-7
SMILES
CC(=O)Br
InChIKey
FXXACINHVKSMDR-UHFFFAOYSA-N
InChI
InChI=1S/C2H3BrO/c1-2(3)4/h1H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

1 names
  • Acetic acid bromide

Work with Acetyl bromide

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

Dibromo-N-methylmaleimide3005-27-432 % similar Diacetyl431-03-831 % similar Acetone67-64-131 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia