1-Nitrobenzo(a)pyrene

CAS Registry Number®

70021-99-7

CAS Name

1-Nitrobenzo(a)pyrene

Molecular Formula

C20H11NO2

Molecular Mass

297.31

Cite this Page

1-Nitrobenzo(a)pyrene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70021-99-7 (retrieved 2025-05-16) (CAS RN: 70021-99-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=ICKISBPYFVBVQG-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C=2C3=C4C(C=5C(C=C4C=CC3=CC1)=CC=CC5)=CC2

Canonical SMILES

O=N(=O)C1=CC=C2C=CC3=CC=4C=CC=CC4C=5C=CC1=C2C35

Other Names for this Substance

  • Benzo[a]pyrene, 1-nitro-
  • 1-Nitrobenzo[a]pyrene
  • 1-Nitrobenzo(a)pyrene

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