CHEMICAL AND PHYSICAL PROPERTIES
Color/Form | Orange crystals |
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Melting Point | 250-250.5 °C |
Decomposition | When heated to decomposition it emits toxic fumes of NOx. |
COMPUTED DESCRIPTORS
Molecular Weight | 297.3 g/mol |
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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
1-Nitrobenzo[a]pyrene is a polycyclic aromatic hydrocarbon belongs to the family of mutagen benzo(a)pyrene. 1-nitrobenzo(a)pyrene consists of five fused rings with a nitro-group attached to the first carbon atom of the aromatic hydrocarbon ring in with potential carcinogenicity.