Basic information
- Standard SMILES
[N-]=[N+]=NCC1=NN=C(c2ccc([N+](=O)[O-])cc2)c2cc3c(cc2C1)OCO3- InChIKey
XBAHARHISZXQNU-UHFFFAOYSA-N- Molecular formula
- C17H12N6O4
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 364.09200289
Names & identifiers
- Preferred name
- 8-Azidomethyl-5-(4-nitrophenyl)-9H-1,3-dioxolo[4,5-h][2,3]-benzodiazepine
- IUPAC
- 8-(azidomethyl)-5-(4-nitrophenyl)-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine
Names & synonyms
XBAHARHISZXQNU-UHFFFAOYSA-N8-Azidomethyl-5-(4-nitrophenyl)-9H-1,3-dioxolo[4,5-h][2,3]-benzodiazepine
Database identifiers
- PubChem CID
- 18183129
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 690
Related reactions
3 records
Compound notes
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