chempirical

Propanoyl bromide

C3H5BrOCAS 598-22-1136.98 g/mol

Open in Covalent MOL file
OBr
Acyl halide

Properties

Molecular formula
C3H5BrO
Molar mass
136.98 g/mol
Exact mass
135.9524 Da
Boiling point
102 °C
logP
1.32Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
598-22-1
SMILES
CCC(=O)Br
InChIKey
RIBFXMJCUYXJDZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H5BrO/c1-2-3(4)5/h2H2,1H3

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Names and synonyms

2 names
  • Propionyl bromide
  • Propionic acid bromide

Work with Propanoyl 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

Bromoacetyl bromide598-21-045 % similar 3,4-Hexanedione4437-51-842 % similar 3-Pentanone96-22-042 % similar Bromomethyl ethyl ketone816-40-039 % similar 3,6-Octanedione2955-65-938 % similar 3,5-Heptanedione7424-54-638 % similar Butanone78-93-338 % similar Propionic anhydride123-62-636 % similar

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

Same formula

2-(Bromomethyl)oxirane3132-64-7 Bromoacetone598-31-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook