Benzo(a)pyren-3-ol, 6-nitro-, acetate (ester)
(6-nitrobenzo[a]pyren-3-yl) acetate
Also Known As: 6-Nitrobenzo(a)pyren-3-ol acetate (ester)|(6-nitrobenzo[a]pyren-3-yl) acetate|Benzo(a)pyren-3-ol, 6-nitro-, acetate (ester)|6-Nitrobenzo[pqr]tetraphen-3-yl acetate
CAS: 110682-10-5
| Molecular Formula | C22H13NO4 |
|---|---|
| Molecular Weight | 355.08447 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.08447 |
| Monoisotopic Mass | 355.08447 |
| Heavy Atoms | 27 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 110682-10-5 |
|---|---|
| SMILES | CC(=O)OC1=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C(C=C5)C=C1)[N+](=O)[O-] |
| InChIKey | SSTFCCGOUPODSP-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyren-3-ol, 6-nitro-, acetate (ester) (CAS 110682-10-5), with molecular formula C22H13NO4 and molecular weight 355.08447 g/mol. IUPAC: (6-nitrobenzo[a]pyren-3-yl) acetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
Benzo(a)pyren-3-ol, 6-nitro-, acetate (ester) is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »