2-Bromopentanoic acid
Properties
- Molecular formula
- C5H9BrO2
- Molar mass
- 181.03 g/mol
- Exact mass
- 179.9786 Da
- Density
- 1.475 g/mL (at 20 °C)
- Melting point
- 252 °C (sublimes)
- Boiling point
- 132–135 °C
- logP
- 1.63Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Identifiers
CAS number
584-93-0SMILES
CCCC(Br)C(=O)OInChIKey
WMFATTFQNRPXBQ-UHFFFAOYSA-NInChI
InChI=1S/C5H9BrO2/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Pentanoic acid, 2-bromo-
- Valeric acid, 2-bromo-
- α-Bromovaleric acid
- α-Bromopentanoic acid
- 2-Bromovaleric acid
- DL-α-Bromovaleric acid
- (±)-α-Bromopentanoic acid
- (±)-2-Bromovaleric acid
- (±)-2-Bromopentanoic acid
- NSC 184
Work with 2-Bromopentanoic 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-Bromohexanoic acid616-05-778 % similar
2-Bromooctadecanoic acid142-94-972 % similar
2-Bromohexadecanoic acid18263-25-772 % similar
2-Bromooctanoic acid2623-82-772 % similar
2-Bromobutyric acid80-58-063 % similar
Valproic acid99-66-159 % similar
2-Methylvaleric acid97-61-055 % similar
2,3-Dibromopropionic acid600-05-554 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
Methyl (R)-(+)-3-bromo-2-methylpropionate110556-33-7
2-(2-Bromoethyl)-1,3-dioxolane18742-02-4
5-Bromopentanoic acid2067-33-6
Methyl 2-bromo-2-methylpropanoate23426-63-3
(2S)-2-Bromo-3-methylbutanoic acid26782-75-2
Isopropyl bromoacetate29921-57-1
Methyl 2-bromobutanoate3196-15-4
Methyl 4-bromobutyrate4897-84-1