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Substance Name: Benzo(a)pyrene, 1-(chloromethyl)-
RN: 100757-60-6
InChIKey: WWTKOCFTVBUGIJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H13-Cl

Molecular Weight

  • 300.787
 
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Names and Synonyms

Synonyms

  • 1-Chloromethylbenzo(a)pyrene
  • CCRIS 2520

Systematic Names

  • 1-Chloromethylbenzo(a)pyrene
  • Benzo(a)pyrene, 1-(chloromethyl)-

Registry Numbers

CAS Registry Number

  • 100757-60-6

System Generated Number

  • 0100757606

Structure Descriptors

InChI

1S/C21H13Cl/c22-12-16-8-6-13-5-7-15-11-14-3-1-2-4-17(14)19-10-9-18(16)20(13)21(15)19/h1-11H,12H2

InChIKey

WWTKOCFTVBUGIJ-UHFFFAOYSA-N

Smiles

c12c(cc3ccc4ccc(c5ccc1c3c45)CCl)cccc2