6-Nitrobenzo[a]pyrene

CAS Registry Number®

63041-90-7
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CAS Name

6-Nitrobenzo[a]pyrene

Molecular Formula

C20H11NO2

Molecular Mass

297.31

Cite this Page

6-Nitrobenzo[a]pyrene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=63041-90-7 (retrieved 2024-04-23) (CAS RN: 63041-90-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    252-254 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H11NO2/c22-21(23)20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H

InChIKey

InChIKey=NMMAFYSZGOFZCM-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=5C1=CC=CC5

Canonical SMILES

O=N(=O)C=1C=2C=CC=CC2C3=CC=C4C=CC=C5C=CC1C3=C45

Other Names for this Substance

  • Benzo[a]pyrene, 6-nitro-
  • 6-Nitrobenzo[a]pyrene

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