Benzo(a)pyrene, monopicrate
benzo[a]pyrene;2,4,6-trinitrophenol
Also Known As: 1:2-Benzpyrene picrate|3,4-Benzpyrene picrate|Benzo(a)pyrene, monopicrate|benzo[a]pyrene; 2,4,6-trinitrophenol|2,4,6-trinitrophenol- benzo[pqr]tetraphene(1:1)|2,4,6-Trinitrophenol--benzo[pqr]tetraphene (1/1)|Benzo(a)pyrene, compd. with 2,4,6-trinitrophenol (1:1)
| Molecular Formula | C26H15N3O7 |
|---|---|
| Molecular Weight | 481.091 g/mol |
| LogP | 6.85 |
| Topological Polar Surface Area | 149.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 481.091 |
| Heavy Atoms | 36 |
| Complexity | 1797.3 |
Chemical Identifiers
| CAS Number | 5929-01-1 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Benzo(a)pyrene, monopicrate (CAS 5929-01-1), with molecular formula C26H15N3O7 and molecular weight 481.091 g/mol. IUPAC: benzo[a]pyrene;2,4,6-trinitrophenol.
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