Name: Name:3-NITROPERYLENE
Brand: AABLOCKS
SKU: AA00BD04
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00BD04

Chemical Name: 3-NITROPERYLENE

CAS Number: 20589-63-3

Molecular Formula: C20H11NO2

Molecular Weight: 297.3068

MDL Number: MFCD00215953

SMILES: C1=CC2=C3C(=C1)C4=C5C(=CC=C4)C(=CC=C5C3=CC=C2)[N+](=O)[O-]

Properties

Complexity: 487

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 23

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 0

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 6.1

Literature fold

Title: Improvement of an automatic HPLC system for nitropolycyclic aromatic hydrocarbons: removal of an interfering peak and increase in the number of analytes.

Journal: Analytical sciences : the international journal of the Japan Society for Analytical Chemistry20030201

Title: Short-term bioassays of nitro derivatives of benzo[a]pyrene and perylene.

Journal: Carcinogenesis19840701

20589-63-3 | 3-NITROPERYLENE