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Substance Name: Urea, 1-(p-fluorophenyl)-
RN: 659-30-3
InChIKey: IQZBVVPYTDHTIP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H7-F-N2-O

Molecular Weight

  • 154.143
 
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Names and Synonyms

Synonyms

  • (4-Fluorophenyl)urea
  • 1-(p-Fluorophenyl)urea
  • 4-12-00-01108 (Beilstein Handbook Reference)
  • BRN 2090131

Systematic Name

  • Urea, 1-(p-fluorophenyl)-

Registry Numbers

CAS Registry Number

  • 659-30-3

System Generated Number

  • 0000659303

Structure Descriptors

InChI

1S/C7H7FN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)

InChIKey

IQZBVVPYTDHTIP-UHFFFAOYSA-N

Smiles

c1(ccc(F)cc1)NC(N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1020mg/kg (1020mg/kg)   Annales Pharmaceutiques Francaises. Vol. 40, Pg. 339, 1982.
mouse LD50 oral 2500mg/kg (2500mg/kg)   Annales Pharmaceutiques Francaises. Vol. 40, Pg. 339, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.04 (none)   EXP
Water Solubility 9410 mg/L 25 EST
Vapor Pressure 1.09E-03 mm Hg 25 EST
Henry's Law Constant 2.35E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.54E-11 cm3/molecule-sec 25 EST

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