chempirical

2,3-Dibromopropionic acid

C3H4Br2O2CAS 600-05-5231.87 g/mol

Open in Covalent MOL file
OHOBrBr
Alkyl halideCarboxylic acid

Properties

Molecular formula
C3H4Br2O2
Molar mass
231.87 g/mol
Exact mass
229.8578 Da
Melting point
66.5 °C
Boiling point
129 °C (at 9 Torr)
logP
1.23Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
600-05-5
SMILES
O=C(O)C(Br)CBr
InChIKey
ZMYAKSMZTVWUJB-UHFFFAOYSA-N
InChI
InChI=1S/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)

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Names and synonyms

7 names
  • Propanoic acid, 2,3-dibromo-
  • Propionic acid, 2,3-dibromo-
  • Propionic acid, α,β-dibromo-
  • 2,3-Dibromopropanoic acid
  • α,β-Dibromopropionic acid
  • (±)-2,3-Dibromopropionic acid
  • NSC 175

Work with 2,3-Dibromopropionic acid

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

3-Bromo-2-(bromomethyl)propanoic acid41459-42-158 % similar 2-Bromobutyric acid80-58-058 % similar Bromosuccinic acid584-98-556 % similar Bromosuccinic acid923-06-856 % similar 2-Bromopentanoic acid584-93-054 % similar 2-Bromohexanoic acid616-05-750 % similar 2,3-Dibromopropionamide15102-42-848 % similar 2,3-Dibromopropanoyl chloride18791-02-148 % similar

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

Elsewhere

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