ChemSpider 2D Image | VU0463841 | C13H8ClFN4O

VU0463841

  • Molecular FormulaC13H8ClFN4O
  • Average mass290.680 Da
  • Monoisotopic mass290.037079 Da
  • ChemSpider ID34981018

More details:

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

Acide N-(5-chloro-2-pyridinyl)-N'-(3-cyano-5-fluorophényl)carbamimidique [French] [ACD/IUPAC Name]
Benzonitrile, 3-[[(1Z)-[(5-chloro-2-pyridinyl)amino]hydroxymethylene]amino]-5-fluoro- [ACD/Index Name]
N-(5-Chlor-2-pyridinyl)-N'-(3-cyan-5-fluorphenyl)carbamimidsäure [German] [ACD/IUPAC Name]
N-(5-Chloro-2-pyridinyl)-N'-(3-cyano-5-fluorophenyl)carbamimidic acid [ACD/IUPAC Name]
VU0463841
1-(5-chloropyridin-2-yl)-3-(3-cyano-5-fluorophenyl)urea
1439095-16-5 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4461592/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 486.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 248.0±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 73.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 3.93
ACD/KOC (pH 5.5): 55.88
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 3.66
ACD/KOC (pH 7.4): 52.10
Polar Surface Area: 81 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 205.3±7.0 cm3

Click to predict properties on the Chemicalize site


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