Basic information
- CAS
88380-85-2- Standard SMILES
OCC(Cl)=C(Br)CO- InChIKey
AWBKCLQLLNHFHT-UHFFFAOYSA-N- Molecular formula
- C4H6BrClO2
- Average molar mass
- 201.44 g/mol
- Monoisotopic mass
- 199.92397
Names & identifiers
- Preferred name
- 2-Bromo-3-chlorobut-2-ene-1,4-diol
- IUPAC
- 2-bromo-3-chlorobut-2-ene-1,4-diol
Names & synonyms
2-Bromo-3-chlorobut-2-ene-1,4-diol88380-85-2SCHEMBL10782640DTXSID10705791
Database identifiers
- CAS
88380-85-2- PubChem CID
- 53665166
- DTXSID
DTXSID10705791
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 102
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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