2,2-Dibromo-1,3-propanediol
Basic information
- CAS
62787-09-1- Standard SMILES
OCC(Br)(Br)CO- InChIKey
QHRLILANWUCKSQ-UHFFFAOYSA-N- Molecular formula
- C3H6Br2O2
- Average molar mass
- 233.89 g/mol
- Monoisotopic mass
- 231.87345
Names & identifiers
- Preferred name
- 2,2-Dibromo-1,3-propanediol
- IUPAC
- 2,2-dibromopropane-1,3-diol
Names & synonyms
2,2-dibromopropane-1,3-diol2,2-Dibromo-1,3-propanediol1,3-Propanediol, 2,2-dibromo-62787-09-1SCHEMBL2761146DTXSID60345383QHRLILANWUCKSQ-UHFFFAOYSA-N2,2-Dibromo-1,3-propanediol #
Database identifiers
- CAS
62787-09-1- PubChem CID
- 604075
- DTXSID
DTXSID60345383- Nikkaji
- J1.602.701D
Properties
Computed structural properties
- XLogP
- 0.4
- 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
- 48.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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