Basic information
- CAS
23818-38-4- Standard SMILES
O=c1[nH]c2cc([N+](=O)[O-])ccc2c2ccc([N+](=O)[O-])cc12- InChIKey
NFQCBMOTZZLRCE-UHFFFAOYSA-N- Molecular formula
- C13H7N3O5
- Average molar mass
- 285.21 g/mol
- Monoisotopic mass
- 285.03857033
Names & identifiers
- Preferred name
- 3,8-dinitrophenanthridin-6(5H)-one
- IUPAC
- 3,8-dinitro-5H-phenanthridin-6-one
Names & synonyms
3,8-dinitrophenanthridin-6(5H)-one23818-38-4CHEMBL47846MLS0027073183,8-Dinitro-5H-phenanthridin-6-oneNSC123802DTXSID10298512BDBM501011223,8-dinitro-6(5h)-phenanthridinoneAKOS003364017NSC-123802SMR001574710
Database identifiers
- CAS
23818-38-4- PubChem CID
- 276231
- DTXSID
DTXSID10298512- ChEMBL
CHEMBL47846- Nikkaji
- J1.562.582A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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