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70021-99-7

70021-99-7 structural image
Product Name: 1-nitrobenzo(a)pyrene
Formula: C20H11NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Orange crystals
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
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.