Bromoisobutyric acid
Properties
- Molecular formula
- C4H7BrO2
- Molar mass
- 167.00 g/mol
- Exact mass
- 165.9629 Da
- Melting point
- 48.5 °C
- Boiling point
- 199 °C
- logP
- 1.24Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
2052-01-9SMILES
CC(C)(Br)C(=O)OInChIKey
XXSPGBOGLXKMDU-UHFFFAOYSA-NInChI
InChI=1S/C4H7BrO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Propanoic acid, 2-bromo-2-methyl-
- Propionic acid, 2-bromo-2-methyl-
- Isobutyric acid, α-bromo-
- 2-Bromo-2-methylpropanoic acid
- α-Bromoisobutyric acid
- Isobromobutyric acid
- α-Bromo-α-methylpropionic acid
- 2-Bromoisobutyric acid
- 2-Bromo-2-methylpropionic acid
- NSC 41213
- 2-Methyl-2-bromopropanoic acid
Work with Bromoisobutyric 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
Dimethylmalonic acid595-46-057 % similar
Tribromoacetic acid75-96-750 % similar
2-Bromoisobutyryl bromide20769-85-148 % similar
2-Hydroxyisobutyric acid594-61-646 % similar
2-Bromo-2,2-difluoroacetic acid354-08-544 % similar
2,2-Difluoropropanoic acid373-96-644 % similar
1-Methylcyclopropanecarboxylic acid6914-76-744 % similar
2,2-Dichloropropionic acid75-99-044 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds