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Substance Name: Benz(a)anthracene, 7-(chloromethyl)-5-fluoro-12-methyl-
RN: 67639-45-6
InChIKey: XDWPSGQUCMCJCO-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C20-H14-Cl-F

Molecular Weight

  • 308.782
 
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Names and Synonyms

Synonyms

  • 5-Fluoro-7-chloromethyl-12-methylbenz(a)anthracene
  • 7-(Chloromethyl)-5-fluoro-12-methylbenz(a)anthracene
  • BRN 2538135

Systematic Name

  • Benz(a)anthracene, 7-(chloromethyl)-5-fluoro-12-methyl-

Registry Numbers

CAS Registry Number

  • 67639-45-6

System Generated Number

  • 0067639456

Structure Descriptors

InChI

1S/C20H14ClF/c1-12-13-6-2-3-7-14(13)18(11-21)17-10-19(22)15-8-4-5-9-16(15)20(12)17/h2-10H,11H2,1H3

InChIKey

XDWPSGQUCMCJCO-UHFFFAOYSA-N

Smiles

c12c(c(c3ccccc3c2C)CCl)cc(F)c2c1cccc2