Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3)
benzo[a]pyrene;bis(iron(3+));tris(oxygen(2-))
Also Known As: NIOSH/DJ6380200|Benzo(a)pyrene mixed with hematite (1:1)|Hematite mixed with benzo(a)pyrene (1:1)|3,4-Benzopyrene mixed with hematite (1:1)|Hematite mixed with 3,4-benzopyrene (1:1)|Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3)|benzo[a]pyrene; iron(3+); oxygen(2-)|Benzo(a)pyrene mixed with ferric oxide (1:1)|Ferric oxide mixed with benzo(a)pyrene (1:1)|3,4-Benzopyrene mixed with ferric oxide (1:1)|Ferric oxide mixed with 3,4-benzopyrene (1:1)|diferric; benzo[a]pyrene; oxygen(-2) anion|Iron(3+) oxide--benzo[pqr]tetraphene (2/3/1)
| Molecular Formula | C20H12Fe2O3 |
|---|---|
| Molecular Weight | 411.94852 g/mol |
| LogP | 5.3758 |
| Topological Polar Surface Area | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 411.94852 |
| Monoisotopic Mass | 411.94852 |
| Heavy Atoms | 25 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 10038-75-2 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3.[O-2].[O-2].[O-2].[Fe+3].[Fe+3] |
| InChIKey | JJIZPYYLPVNQSW-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene, mixt. with iron oxide (Fe2-O3) (CAS 10038-75-2), with molecular formula C20H12Fe2O3 and molecular weight 411.94852 g/mol. IUPAC: benzo[a]pyrene;bis(iron(3+));tris(oxygen(2-)).