Basic information
- Standard SMILES
Nc1cc2c(cc1[N+](=O)[O-])OCOC2- InChIKey
KVJBZWOSXXOIQL-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
Names & identifiers
- Preferred name
- 6-Amino-7-nitro-1,3-benzodioxane
- IUPAC
- 7-nitro-4H-1,3-benzodioxin-6-amine
Names & synonyms
SCHEMBL10844372KVJBZWOSXXOIQL-UHFFFAOYSA-N6-amino-7-nitro-1,3-benzodioxane
Database identifiers
- PubChem CID
- 13343752
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Related reactions
1 records
Compound notes
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