chempirical

3-Bromopropanoyl chloride

C3H4BrClOCAS 15486-96-1171.42 g/mol

Open in Covalent MOL file
OClBr
Acyl halideAlkyl halide

Properties

Molecular formula
C3H4BrClO
Molar mass
171.42 g/mol
Exact mass
169.9134 Da
Boiling point
115–117 °C (at 30 Torr)
logP
1.54Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
15486-96-1
SMILES
O=C(Cl)CCBr
InChIKey
IHBVNSPHKMCPST-UHFFFAOYSA-N
InChI
InChI=1S/C3H4BrClO/c4-2-1-3(5)6/h1-2H2

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

Names and synonyms

7 names
  • Propanoyl chloride, 3-bromo-
  • Propionyl chloride, 3-bromo-
  • 3-Bromopropionyl chloride
  • β-Bromopropionyl chloride
  • β-Bromopropanoyl chloride
  • ω-Bromopropanoyl chloride
  • 3-Bromopropanoic acid chloride

Work with 3-Bromopropanoyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromobutanoyl chloride927-58-271 % similar 5-Bromovaleryl chloride4509-90-468 % similar 6-Bromohexanoyl chloride22809-37-665 % similar Succinyl chloride543-20-461 % similar Adipoyl chloride111-50-255 % similar Glutaryl chloride2873-74-755 % similar Suberoyl chloride10027-07-352 % similar Sebacoyl chloride111-19-352 % similar

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

Same formula

2-Bromopropanoyl chloride7148-74-5

Elsewhere

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