CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Orange crystals |
|---|---|
| Melting Point | 211-212 °C |
| Decomposition | When heated to decomposition it emits toxic fumes of NOx. |
COMPUTED DESCRIPTORS
| Molecular Weight | 297.3 g/mol |
|---|---|
| XLogP3 | 6.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 297.078978594 g/mol |
| Monoisotopic Mass | 297.078978594 g/mol |
| Topological Polar Surface Area | 45.8 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 487 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-Nitrobenzo[a]pyrene is a polycyclic aromatic hydrocarbon belongs to the family of mutagen benzo(a)pyrene. 3-nitrobenzo(a)pyrene consists of five fused rings with a nitro-group attached to the third carbon atom of the aromatic hydrocarbon ring in with potential carcinogenicity.