Basic information
- CAS
63732-27-4- Standard SMILES
O=[N+]([O-])C(Br)(CC(O)C(O)c1ccccc1)[N+](=O)[O-]- InChIKey
DNXJJIZZMJTTAV-UHFFFAOYSA-N- Molecular formula
- C10H11BrN2O6
- Average molar mass
- 335.11 g/mol
- Monoisotopic mass
- 333.98005
Names & identifiers
- Preferred name
- 4-Bromo-4,4-dinitro-1-phenylbutane-1,2-diol
- IUPAC
- 4-bromo-4,4-dinitro-1-phenylbutane-1,2-diol
Names & synonyms
4-bromo-4,4-dinitro-1-phenylbutane-1,2-diol63732-27-4DTXSID70980204RefChem:1070405DTXCID9014074821,2-BUTANEDIOL, 4-BROMO-4,4-DINITRO-1-PHENYL-Brom-nitrophenidole1-Brom-1,1-dinitro-4-phenylbutandiol-3,44-Bromo-4,4-dinitro-1-phenyl-1,2-butanediol3,4-Butanediol, 1-bromo-1,1-dinitro-4-phenyl-19447-66-6
Database identifiers
- CAS
63732-27-4- PubChem CID
- 44660
- DTXSID
DTXSID70980204- Nikkaji
- J54.551A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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