Basic information
- CAS
157996-62-8- Standard SMILES
Nc1c2cc([N+](=O)[O-])ccc2nc2ccc([N+](=O)[O-])cc12- InChIKey
QSIXIMZVUAJUNG-UHFFFAOYSA-N- Molecular formula
- C13H8N4O4
- Average molar mass
- 284.23 g/mol
- Monoisotopic mass
- 284.05455475
Names & identifiers
- Preferred name
- 9-Amino-2,7-dinitroacridine
- IUPAC
- 2,7-dinitroacridin-9-amine
Names & synonyms
9-Amino-2,7-dinitroacridine157996-62-8CCRIS 74922,7-dinitroacridin-9-amineDTXSID20166339
Database identifiers
- CAS
157996-62-8- PubChem CID
- 154696
- DTXSID
DTXSID20166339- Nikkaji
- J603.489F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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