Basic information
- CAS
82039-09-6- Standard SMILES
O=[N+]([O-])c1cc2cc3ccccc3c3ccc4c(O)ccc1c4c23- InChIKey
OISGCZPPZGEACZ-UHFFFAOYSA-N- Molecular formula
- C20H11NO3
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.07389321
Names & identifiers
- Preferred name
- 4-Nitrobenzo[a]pyren-1-ol
- IUPAC
- 4-nitrobenzo[a]pyren-1-ol
- English name
- 3-HYDROXY-6-NITROBENZO(A)PYRENE
- Molecular formula
- C20H11NO3
- Molecular weight
- 313.31
Names & synonyms
82039-09-6Benzo(a)pyren-3-ol, 6-nitro-4-nitrobenzo[a]pyren-1-ol6-Nitrobenzo(a)pyren-3-ol4-Nitrobenzo[pqr]tetraphen-1-olDTXSID701002404Benzo[a]pyren-3-ol, 6-nitro-3-HYDROXY-6-NITROBENZO(A)PYRENE
Database identifiers
- CAS
82039-09-6- PubChem CID
- 54809
- DTXSID
DTXSID701002404
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
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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