ChemSpider 2D Image | 1-Benzyl-3-(2-chloro-4-pyridinyl)urea | C13H12ClN3O

1-Benzyl-3-(2-chloro-4-pyridinyl)urea

  • Molecular FormulaC13H12ClN3O
  • Average mass261.707 Da
  • Monoisotopic mass261.066895 Da
  • ChemSpider ID22376169

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Benzyl-3-(2-chlor-4-pyridinyl)harnstoff [German] [ACD/IUPAC Name]
1-Benzyl-3-(2-chloro-4-pyridinyl)urea [ACD/IUPAC Name]
1-Benzyl-3-(2-chloro-4-pyridinyl)urée [French] [ACD/IUPAC Name]
1-Benzyl-3-(2-Chloropyridin-4-Yl)urea
Urea, N-(2-chloro-4-pyridinyl)-N'-(phenylmethyl)- [ACD/Index Name]
80194-81-6 [RN]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

246 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 414.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 204.7±28.7 °C
Index of Refraction: 1.646
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.92
ACD/KOC (pH 5.5): 1201.80
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.92
ACD/KOC (pH 7.4): 1201.82
Polar Surface Area: 54 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 197.2±3.0 cm3

Click to predict properties on the Chemicalize site


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