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Substance Name: Benzo(a)pyrene, 3-(chloromethyl)-
RN: 123358-37-2
InChIKey: PARQWUUUPSYXSN-UHFFFAOYSA-N

Molecular Formula

  • C21-H13-Cl

Molecular Weight

  • 300.787
 
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Names and Synonyms

Synonym

  • 3-(Chloromethyl)benzo(a)pyrene

Systematic Name

  • Benzo(a)pyrene, 3-(chloromethyl)-

Registry Numbers

CAS Registry Number

  • 123358-37-2

System Generated Number

  • 0123358372

Structure Descriptors

InChI

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

InChIKey

PARQWUUUPSYXSN-UHFFFAOYSA-N

Smiles

c12c(cc3ccc4c(ccc5ccc1c3c45)CCl)cccc2