2,3-Dibromobutanoic acid

C₄H₆Br₂O₂CAS 600-30-6245.90 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₄H₆Br₂O₂
Molar mass: 245.90 g/mol
Exact mass: 243.8735 Da
Melting point: 87 °C
logP: 1.62Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

600-30-6

SMILES

CC(Br)C(Br)C(=O)O

InChIKey

HESQKTULJLBDRF-UHFFFAOYSA-N

InChI

InChI=1S/C4H6Br2O2/c1-2(5)3(6)4(7)8/h2-3H,1H3,(H,7,8)

Weigh it out

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

Names and synonyms

5 names

Butanoic acid, 2,3-dibromo-
Butyric acid, 2,3-dibromo-
2,3-Dibromobutyric acid
α,β-Dibromobutanoic acid
NSC 6207

Work with 2,3-Dibromobutanoic 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

(2S)-2-Bromo-3-methylbutanoic acid26782-75-264 % similar Rel-(2R,3S)-2,3-dibromobutanedioic acid608-36-664 % similar (2S)-2-Bromopropanoic acid32644-15-850 % similar 2-Bromopropionic acid598-72-150 % similar Methylmalonic acid516-05-244 % similar Isobutyric acid79-31-244 % similar Ethyl 2,3-dibromobutanoate609-11-042 % similar D-Valine640-68-641 % similar

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

Same formula

Methyl 2,3-dibromopropionate1729-67-5 (2E)-2,3-Dibromo-2-butene-1,4-diol21285-46-1 2,3-Dibromo-2-butene-1,4-diol3234-02-4 3-Bromo-2-(bromomethyl)propanoic acid41459-42-1

Elsewhere

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