4-Nitrophenanthridin-6(5h)-one
Basic information
- CAS
23818-43-1- Standard SMILES
O=c1[nH]c2c([N+](=O)[O-])cccc2c2ccccc12- InChIKey
PQKGWMHEHBQWIR-UHFFFAOYSA-N- Molecular formula
- C13H8N2O3
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.05349212
Names & identifiers
- Preferred name
- 4-Nitrophenanthridin-6(5h)-one
- IUPAC
- 4-nitro-5H-phenanthridin-6-one
Names & synonyms
4-nitrophenanthridin-6(5h)-one23818-43-1DTXSID80296500RefChem:295088DTXCID80247638CHEMBL459044-Nitro-5H-phenanthridin-6-one6(5H)-Phenanthridinone,4-nitro-NSC109630Oprea1_295436SCHEMBL72424004-nitro-6(5h)-phenanthridinone
Show more names
BDBM50101117AKOS001577957NSC-109630DS-015592SR-01000395154SR-01000395154-1
Database identifiers
- CAS
23818-43-1- PubChem CID
- 269083
- DTXSID
DTXSID80296500- ChEMBL
CHEMBL45904- Nikkaji
- J1.562.594E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 366
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Related reactions
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Compound notes
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