ChemSpider 2D Image | 3-((4,5-dichloro-6-oxopyridazin-1(6H)-yl)methyl)benzonitrile | C12H7Cl2N3O

3-((4,5-dichloro-6-oxopyridazin-1(6H)-yl)methyl)benzonitrile

  • Molecular FormulaC12H7Cl2N3O
  • Average mass280.109 Da
  • Monoisotopic mass278.996613 Da
  • ChemSpider ID26158982

More details:

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

3-((4,5-dichloro-6-oxopyridazin-1(6H)-yl)methyl)benzonitrile
3-[(4,5-Dichlor-6-oxo-1(6H)-pyridazinyl)methyl]benzonitril [German] [ACD/IUPAC Name]
3-[(4,5-Dichloro-6-oxo-1(6H)-pyridazinyl)methyl]benzonitrile [ACD/IUPAC Name]
3-[(4,5-Dichloro-6-oxo-1(6H)-pyridazinyl)méthyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)methyl]- [ACD/Index Name]
1190532-65-0 [RN]
MFCD15300562

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

Density: 1.4±0.1 g/cm3
Boiling Point: 403.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.5±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 71.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.90
ACD/KOC (pH 5.5): 217.01
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.90
ACD/KOC (pH 7.4): 217.01
Polar Surface Area: 56 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 197.0±7.0 cm3

Click to predict properties on the Chemicalize site


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