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Substance Name: Benz(a)anthracene, 6-fluoro-7-methyl-
RN: 2541-68-6
InChIKey: YTMJGWZZUJCJPE-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C19-H13-F

Molecular Weight

  • 260.31
 
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Names and Synonyms

Synonyms

  • 6-Fluoro-7-methylbenz(a)anthracene
  • BRN 2532106

Systematic Name

  • Benz(a)anthracene, 6-fluoro-7-methyl-

Registry Numbers

CAS Registry Number

  • 2541-68-6

System Generated Number

  • 0002541686

Structure Descriptors

InChI

1S/C19H13F/c1-12-15-8-4-2-6-13(15)10-17-16-9-5-3-7-14(16)11-18(20)19(12)17/h2-11H,1H3

InChIKey

YTMJGWZZUJCJPE-UHFFFAOYSA-N

Smiles

c12c(c(c3ccccc3c2)C)c(cc2c1cccc2)F

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.270 (none)   EST
Water Solubility 0.0128 mg/L 25 EXP
Atmospheric OH Rate Constant 5.83E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.