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Substance Name: Uracil, 1-(p-chlorobenzyl)-5-fluoro-
RN: 85093-33-0
InChIKey: FWLNZTGNVCRKCU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H8-Cl-F-N2-O2

Molecular Weight

  • 254.6472
 
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Names and Synonyms

Synonyms

  • 1-(p-Chlorobenzyl)-5-fluoro-uracil
  • 2,4(1H,3H)-Pyrimidinedione, 1-((4-chlorophenyl)methyl)-5-fluoro-

Systematic Name

  • Uracil, 1-(p-chlorobenzyl)-5-fluoro-

Registry Numbers

CAS Registry Number

  • 85093-33-0

System Generated Number

  • 0085093330

Structure Descriptors

InChI

1S/C11H8ClFN2O2/c12-8-3-1-7(2-4-8)5-15-6-9(13)10(16)14-11(15)17/h1-4,6H,5H2,(H,14,16,17)

InChIKey

FWLNZTGNVCRKCU-UHFFFAOYSA-N

Smiles

c1cc(ccc1Cn2cc(c(=O)[nH]c2=O)F)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 350mg/kg (350mg/kg)   Pharmaceutical Chemistry Journal Vol. 16, Pg. 888, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.64 (none)   EXP
Water Solubility 886 mg/L 25 EST
Vapor Pressure 1.09E-09 mm Hg 25 EST
Henry's Law Constant 2.18E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.13E-11 cm3/molecule-sec 25 EST

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