Basic information
- CAS
16211-09-9- Standard SMILES
O=[N+]([O-])C1=CC2=Nc3c(cc([N+](=O)[O-])cc3[N+](=O)[O-])C2C([N+](=O)[O-])=C1- InChIKey
QCUWCUZSFNSYQW-UHFFFAOYSA-N- Molecular formula
- C12H5N5O8
- Average molar mass
- 347.2 g/mol
- Monoisotopic mass
- 347.01381213
Names & identifiers
- Preferred name
- 2,4,6,8-tetranitro-4aH-carbazole
- IUPAC
- 2,4,6,8-tetranitro-4aH-carbazole
- English name
- 2,4,6,8-Tetranitro-4aH-carbazole
- Molecular formula
- C12H5N5O8
- Molecular weight
- 347.2
Names & synonyms
2,4,6,8-tetranitro-4aH-carbazole16211-09-9DTXSID302748334aH-Carbazole, 2,4,6,8-tetranitro-
Database identifiers
- CAS
16211-09-9- PubChem CID
- 27752
- DTXSID
DTXSID30274833- Nikkaji
- J48.447D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 764
Physicochemical properties
- Boiling point
- 523.4 · 523.4±50.0 °C(Predicted)
- Density
- 2.08 · 2.08±0.1 g/cm3(Predicted)
- pka
- -5.65 · -5.65±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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