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Substance Name: 12-Chloromethylbenzo(a)pyrene
RN: 94500-44-4
InChIKey: NSEJACQEDMUEIJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H13-Cl

Molecular Weight

  • 300.787
 
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Names and Synonyms

Name of Substance

  • 12-Chloromethylbenzo(a)pyrene

Synonyms

  • 12-Chloromethylbenzo(a)pyrene
  • BRN 5561691
  • CCRIS 2526

Systematic Names

  • 12-Chloromethylbenzo(a)pyrene
  • Benzo(a)pyrene, 12-(chloromethyl)-

Registry Numbers

CAS Registry Number

  • 94500-44-4

System Generated Number

  • 0094500444

Structure Descriptors

InChI

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

InChIKey

NSEJACQEDMUEIJ-UHFFFAOYSA-N

Smiles

c12c3c4c(CCl)cc1c1c(cccc1)cc2ccc3ccc4