3-Nitrobenzo[a]pyrene

CAS Registry Number®

70021-98-6
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CAS Name

3-Nitrobenzo[a]pyrene

Molecular Formula

C20H11NO2

Molecular Mass

297.31

Cite this Page

3-Nitrobenzo[a]pyrene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70021-98-6 (retrieved 2024-05-15) (CAS RN: 70021-98-6).  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)18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11H

InChIKey

InChIKey=CQIJHYPCKYZMIV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=N(=O)C1=CC=C2C=CC=3C=4C=CC=CC4C=C5C=CC1=C2C53

Other Names for this Substance

  • Benzo[a]pyrene, 3-nitro-
  • 3-Nitrobenzo[a]pyrene

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