2-Bromobutyric acid
Properties
- Molecular formula
- C4H7BrO2
- Molar mass
- 167.00 g/mol
- Exact mass
- 165.9629 Da
- Density
- 1.5671 g/mL (at 20 °C)
- Melting point
- −4 °C
- Boiling point
- 181–182 °C
- logP
- 1.24Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Identifiers
CAS number
80-58-0SMILES
CCC(Br)C(=O)OInChIKey
YAQLSKVCTLCIIE-UHFFFAOYSA-NInChI
InChI=1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Butanoic acid, 2-bromo-
- Butyric acid, 2-bromo-
- 2-Bromobutanoic acid
- α-Bromobutyric acid
- α-Bromo-n-butyric acid
- DL-α-Bromobutyric acid
- DL-2-Bromo-n-butyric acid
- (±)-2-Bromobutyric acid
- (±)-α-Bromobutanoic acid
- (RS)-α-Bromobutyric acid
- (RS)-2-Bromobutyric acid
- (±)-2-Bromobutanoic acid
- NSC 8024
Work with 2-Bromobutyric 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Bromopentanoic acid584-93-063 % similar
2,3-Dibromopropionic acid600-05-558 % similar
Ethylmalonic acid601-75-256 % similar
2-Ethylbutanoic acid88-09-556 % similar
2-Bromooctadecanoic acid142-94-955 % similar
2-Bromohexadecanoic acid18263-25-755 % similar
2-Bromooctanoic acid2623-82-755 % similar
Bromosuccinic acid584-98-554 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds