2-Hydroxy-1,3,6-trinitrocarbazole
Basic information
- CAS
153654-32-1- Standard SMILES
O=[N+]([O-])c1ccc2[nH]c3c([N+](=O)[O-])c(O)c([N+](=O)[O-])cc3c2c1- InChIKey
YAFLSYWJWKFBCV-UHFFFAOYSA-N- Molecular formula
- C12H6N4O7
- Average molar mass
- 318.2 g/mol
- Monoisotopic mass
- 318.02364854
Names & identifiers
- Preferred name
- 2-Hydroxy-1,3,6-trinitrocarbazole
- IUPAC
- 1,3,6-trinitro-9H-carbazol-2-ol
- English name
- 2-Hydroxy-1,3,6-trinitrocarbazole
- Molecular formula
- C12H6N4O7
- Molecular weight
- 318.2
Names & synonyms
2-Hydroxy-1,3,6-trinitrocarbazole153654-32-11,3,6-trinitro-9H-carbazol-2-olCCRIS 6776DTXSID401653899H-Carbazol-2-ol, 1,3,6-trinitro-
Database identifiers
- CAS
153654-32-1- PubChem CID
- 5488463
- DTXSID
DTXSID40165389
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 527
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Related reactions
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Compound notes
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