chempirical

2-Bromopropanedial

C3H3BrO2CAS 2065-75-0150.96 g/mol

Open in Covalent MOL file
OBrO
AldehydeAlkyl halide

Properties

Molecular formula
C3H3BrO2
Molar mass
150.96 g/mol
Exact mass
149.9316 Da
Melting point
148 °C
logP
0.15Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
2065-75-0
SMILES
O=CC(Br)C=O
InChIKey
SURMYNZXHKLDFO-UHFFFAOYSA-N
InChI
InChI=1S/C3H3BrO2/c4-3(1-5)2-6/h1-3H

Weigh it out

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

Names and synonyms

10 names
  • Propanedial, 2-bromo-
  • Malonaldehyde, bromo-
  • Propanedial, bromo-
  • Bromomalonaldehyde
  • Bromomalondialdehyde
  • 2-Bromomalondialdehyde
  • 2-Bromo-1,3-propanedialdehyde
  • 2-Bromomalonaldehyde
  • 2-BromoPropane-1,3-dial
  • Bromopropanedial

Work with 2-Bromopropanedial

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

Dichloroacetaldehyde79-02-735 % similar Cyclopropanecarboxaldehyde1489-69-633 % similar Isobutyraldehyde78-84-233 % similar Cyclobutanecarboxaldehyde2987-17-930 % similar Cyclopentanecarboxaldehyde872-53-730 % similar

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

Same formula

2-Bromoacrylic acid10443-65-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook