Basic information
- CAS
119056-57-4- Standard SMILES
O=[N+]([O-])c1c2ccc3cccc4ccc(c5cccc(O)c15)c2c34- InChIKey
LNGBBZHCLFLDFL-UHFFFAOYSA-N- Molecular formula
- C20H11NO3
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.07389321
Names & identifiers
- Preferred name
- 6-Nitrobenzo(a)pyren-7-ol
- IUPAC
- 6-nitrobenzo[a]pyren-7-ol
Names & synonyms
6-Nitrobenzo(a)pyren-7-olBenzo(a)pyren-7-ol, 6-nitro-NIOSH/DJ82978507-Hydroxy-6-nitrobenzo(a)pyrene119056-57-4DJ829785006-nitrobenzo[pqr]tetraphen-7-olDTXSID90152305
Database identifiers
- CAS
119056-57-4- PubChem CID
- 147333
- DTXSID
DTXSID90152305
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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