2,5-Dibromo-2,5-dinitrohexane-1,6-diol
Basic information
- CAS
89580-58-5- Standard SMILES
O=[N+]([O-])C(Br)(CO)CCC(Br)(CO)[N+](=O)[O-]- InChIKey
DREFRXAPDSLSHD-UHFFFAOYSA-N- Molecular formula
- C6H10Br2N2O6
- Average molar mass
- 365.96 g/mol
- Monoisotopic mass
- 363.89056
Names & identifiers
- Preferred name
- 2,5-Dibromo-2,5-dinitrohexane-1,6-diol
- IUPAC
- 2,5-dibromo-2,5-dinitrohexane-1,6-diol
Names & synonyms
89580-58-52,5-dibromo-2,5-dinitrohexane-1,6-diolNSC281692DTXSID30314248NSC-281692DS-0036942,5-dibromo-2,5-dinitro-hexane-1,6-diol
Database identifiers
- CAS
89580-58-5- PubChem CID
- 322987
- DTXSID
DTXSID30314248
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
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Compound notes
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