Basic information
- CAS
82039-10-9- Standard SMILES
O=[N+]([O-])c1cc2cc3ccccc3c3c(O)cc4cccc1c4c23- InChIKey
LRZHJBZHYCVRSK-UHFFFAOYSA-N- Molecular formula
- C20H11NO3
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.07389321
Names & identifiers
- Preferred name
- Benzo(a)pyren-1-ol, 6-nitro-
- IUPAC
- 4-nitrobenzo[a]pyren-11-ol
Names & synonyms
Benzo(a)pyren-1-ol, 6-nitro-82039-10-96-Nitrobenzo(a)pyren-1-olDTXSID502315444-Nitrobenzo[pqr]tetraphen-11-ol
Database identifiers
- CAS
82039-10-9- PubChem CID
- 54810
- DTXSID
DTXSID50231544
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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