Basic information
- CAS
796989-44-1- Standard SMILES
C=C(Br)[C@H](O)CO- InChIKey
VLMHZGCIQCEMND-SCSAIBSYSA-N- Molecular formula
- C4H7BrO2
- Average molar mass
- 167 g/mol
- Monoisotopic mass
- 165.96294
Names & identifiers
- Preferred name
- 3-Butene-1,2-diol, 3-bromo-, (2R)-
- IUPAC
- (2R)-3-bromobut-3-ene-1,2-diol
Names & synonyms
(2R)-3-bromobut-3-ene-1,2-diol3-Butene-1,2-diol, 3-bromo-, (2R)-796989-44-1DTXSID90469465
Database identifiers
- CAS
796989-44-1- PubChem CID
- 11615237
- DTXSID
DTXSID90469465- Nikkaji
- J2.088.380D
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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