Basic information
- CAS
114790-08-8- Standard SMILES
O=[N+]([O-])C1=Cc2cccc3c2c1cc1ccccc13- InChIKey
PNKLPKKJTZTUHW-UHFFFAOYSA-N- Molecular formula
- C16H9NO2
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.06332853
Names & identifiers
- Preferred name
- 5-Nitroacephenanthrylene
- IUPAC
- 5-nitroacephenanthrylene
Names & synonyms
5-nitroacephenanthrylene114790-08-8Acephenanthrylene, 5-nitro-DTXSID40150851
Database identifiers
- CAS
114790-08-8- PubChem CID
- 189239
- DTXSID
DTXSID40150851- Nikkaji
- J1.595.902I
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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