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Substance Name: Benzo(a)pyrene-7,8-diol, 7,8-dihydro-6-fluoro-
ID: DJ63102500
InChIKey: KBGUEKKHFJQKTP-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H13-F-O2

Molecular Weight

  • 304.3187
 
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Names and Synonyms

Synonym

  • trans-7,8-Dihydroxy-7,8-dihydro-6-fluorobenzo(a)pyrene

Systematic Name

  • Benzo(a)pyrene-7,8-diol, 7,8-dihydro-6-fluoro-

Registry Numbers

ID Number

  • NIOSH/DJ6310250

System Generated Number

  • DJ63102500

Structure Descriptors

InChI

1S/C20H13FO2/c21-19-14-7-5-11-3-1-2-10-4-6-12(17(14)16(10)11)13-8-9-15(22)20(23)18(13)19/h1-9,15,20,22-23H

InChIKey

KBGUEKKHFJQKTP-UHFFFAOYSA-N

Smiles

OC1C=Cc2c(C1O)c(F)c3ccc4cccc5ccc2c3c45