Basic information
- CAS
1185400-17-2- Standard SMILES
OC/C(Cl)=C(\Br)CO- InChIKey
AWBKCLQLLNHFHT-ONEGZZNKSA-N- Molecular formula
- C4H6BrClO2
- Average molar mass
- 201.44 g/mol
- Monoisotopic mass
- 199.92397
Names & identifiers
- Preferred name
- (2E)-2-Bromo-3-chloro-2-butene-1,4-diol
- IUPAC
- (E)-2-bromo-3-chlorobut-2-ene-1,4-diol
Names & synonyms
SCHEMBL10782638DTXSID3012785001185400-17-2(2E)-2-Bromo-3-chloro-2-butene-1,4-diol(2E)-2-Bromo-3-chlorobut-2-ene-1,4-diol
Database identifiers
- CAS
1185400-17-2- PubChem CID
- 23322652
- DTXSID
DTXSID301278500- Nikkaji
- J803.360I
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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