Basic information
- CAS
5929-01-1- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34- InChIKey
QDOWKRRPTWSHRT-UHFFFAOYSA-N- Molecular formula
- C26H15N3O7
- Average molar mass
- 481.4 g/mol
- Monoisotopic mass
- 481.09099983
Names & identifiers
- Preferred name
- Benzo(a)pyrene, monopicrate
- IUPAC
- benzo[a]pyrene;2,4,6-trinitrophenol
Names & synonyms
5929-01-11:2-Benzpyrene picrateBenzo(a)pyrene, monopicrate3,4-Benzpyrene picrateDTXSID509747222,4,6-Trinitrophenol--benzo[pqr]tetraphene (1/1)
Database identifiers
- CAS
5929-01-1- PubChem CID
- 80032
- DTXSID
DTXSID50974722
Properties
Computed structural properties
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 664
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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