2-Bromo-1-butene
Properties
- Molecular formula
- C4H7Br
- Molar mass
- 135.00 g/mol
- Exact mass
- 133.9731 Da
- Density
- 1.333 g/mL (at 20 °C)
- Melting point
- −133.4 °C
- Boiling point
- 88 °C
- logP
- 2.31Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Identifiers
CAS number
23074-36-4SMILES
C=C(Br)CCInChIKey
HQMXRIGBXOFKIU-UHFFFAOYSA-NInChI
InChI=1S/C4H7Br/c1-3-4(2)5/h2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- 1-Butene, 2-bromo-
- 2-Bromobutene
Work with 2-Bromo-1-butene
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
3-Methylenepentane760-21-442 % similar
2-Methyl-1-butene563-46-238 % similar
Propanoyl bromide598-22-136 % similar
Ethylacrolein922-63-432 % similar
2-Ethyl-1-hexene1632-16-231 % similar
(3Z)-3,4-Dimethyl-3-hexene19550-87-930 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds