4-Nitrobenz(k)acephenanthrylene
Basic information
- CAS
107673-66-5- Standard SMILES
O=[N+]([O-])C1=Cc2cc3cc4ccccc4cc3c3cccc1c23- InChIKey
QGFCPLWCJSTRSV-UHFFFAOYSA-N- Molecular formula
- C20H11NO2
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.07897859
Names & identifiers
- Preferred name
- 4-Nitrobenz(k)acephenanthrylene
- IUPAC
- 15-nitropentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
Names & synonyms
4-Nitrobenz(k)acephenanthrylene107673-66-5CCRIS 21694-NITROBENZ[K]ACEPHENANTHRYLENEBenz(k)acephenanthrylene, 4-nitro-4-Nitrocyclopenta[de]tetrapheneCHEMBL353285DTXSID20910475
Database identifiers
- CAS
107673-66-5- PubChem CID
- 135698
- DTXSID
DTXSID20910475- ChEMBL
CHEMBL353285
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 536
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Related reactions
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Compound notes
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