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Substance Name: Benz(a)anthracene, 1,2,3,4-tetrahydro-7,12-dimethyl-6-fluoro-
RN: 104761-44-6
InChIKey: FWATUVNMVBJVHQ-UHFFFAOYSA-N

Note

  • A regioisomeric B-ring fluoro analog of THDMBA; 6F-THDMBA is more potent than 5F-THDMBA.

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H19-F

Molecular Weight

  • 278.3681
 
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Names and Synonyms

Synonyms

  • 1,2,3,4-Tetrahydro-7,12-dimethyl-6-fluorobenz(a)anthracene
  • BRN 5571619

Systematic Name

  • Benz(a)anthracene, 1,2,3,4-tetrahydro-7,12-dimethyl-6-fluoro-

Registry Numbers

CAS Registry Number

  • 104761-44-6

System Generated Number

  • 0104761446

Structure Descriptors

InChI

1S/C20H19F/c1-12-15-8-5-6-9-16(15)13(2)20-18(21)11-14-7-3-4-10-17(14)19(12)20/h5-6,8-9,11H,3-4,7,10H2,1-2H3

InChIKey

FWATUVNMVBJVHQ-UHFFFAOYSA-N

Smiles

Cc1c2ccccc2c(C)c3c4CCCCc4cc(F)c13