1-Nitrobenzo(a)pyren-8-ol
Basic information
- CAS
92758-41-3- Standard SMILES
O=[N+]([O-])c1ccc2ccc3cc4cc(O)ccc4c4ccc1c2c34- InChIKey
KVYRULWCSLVJHL-UHFFFAOYSA-N- Molecular formula
- C20H11NO3
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.07389321
Names & identifiers
- Preferred name
- 1-Nitrobenzo(a)pyren-8-ol
- IUPAC
- 1-nitrobenzo[a]pyren-8-ol
Names & synonyms
Benzo(a)pyren-8-ol, 1-nitro-92758-41-31-nitrobenzo(a)pyren-8-ol1-nitrobenzo[pqr]tetraphen-8-olDTXSID60239132
Database identifiers
- CAS
92758-41-3- PubChem CID
- 190163
- DTXSID
DTXSID60239132
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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