6-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene
Basic information
- CAS
88598-58-7- Standard SMILES
O=[N+]([O-])c1c2c(c3ccc4cccc5ccc1c3c45)CCCC2- InChIKey
PEWFNAORWLNPHN-UHFFFAOYSA-N- Molecular formula
- C20H15NO2
- Average molar mass
- 301.3 g/mol
- Monoisotopic mass
- 301.11027872
Names & identifiers
- Preferred name
- 6-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene
- IUPAC
- 6-nitro-7,8,9,10-tetrahydrobenzo[a]pyrene
Names & synonyms
6-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene88598-58-76-nitro-7,8,9,10-tetrahydrobenzo[a]pyreneCCRIS 5865CHEMBL167917DTXSID702371696-Nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphene
Database identifiers
- CAS
88598-58-7- PubChem CID
- 150758
- DTXSID
DTXSID70237169- ChEMBL
CHEMBL167917- Nikkaji
- J1.455.069K
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 487
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Compound notes
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