Benzo(a)pyren-6-ol, 1-nitro-
Basic information
- CAS
92758-46-8- Standard SMILES
O=[N+]([O-])c1ccc2ccc3c(O)c4ccccc4c4ccc1c2c34- InChIKey
AHKGWCYMMNELRP-UHFFFAOYSA-N- Molecular formula
- C20H11NO3
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.07389321
Names & identifiers
- Preferred name
- Benzo(a)pyren-6-ol, 1-nitro-
- IUPAC
- 1-nitrobenzo[a]pyren-6-ol
Names & synonyms
Benzo(a)pyren-6-ol, 1-nitro-92758-46-81-nitrobenzo[pqr]tetraphen-6-olDTXSID60239137
Database identifiers
- CAS
92758-46-8- PubChem CID
- 186535
- DTXSID
DTXSID60239137
Properties
Computed structural properties
- XLogP
- 5.9
- 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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