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Substance Name: Benzo(a)pyrene, 5-(chloromethyl)-
RN: 29852-26-4
InChIKey: WFAJDSVQAGXSMA-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H13-Cl

Molecular Weight

  • 300.787
 
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Names and Synonyms

Synonyms

  • 5-Chloromethylbenzo(a)pyrene
  • BRN 5561657
  • CCRIS 2522

Systematic Names

  • 5-Chloromethylbenzo(a)pyrene
  • Benzo(a)pyrene, 5-(chloromethyl)-

Registry Numbers

CAS Registry Number

  • 29852-26-4

System Generated Number

  • 0029852264

Structure Descriptors

InChI

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

InChIKey

WFAJDSVQAGXSMA-UHFFFAOYSA-N

Smiles

c12c3c4cc(c2cc2c(c1ccc3ccc4)cccc2)CCl