Found 309 results

Search term: MF = 'C_{18}H_{12}N_{4}O'
ChemSpider 2D Image | 4-Hydroxy-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)phthalonitrile | C18H12N4O

4-Hydroxy-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)phthalonitrile

  • Molecular FormulaC18H12N4O
  • Average mass300.314 Da
  • Monoisotopic mass300.101105 Da
  • ChemSpider ID35331372

More details:

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

1,2-Benzenedicarbonitrile, 4-hydroxy-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)- [ACD/Index Name]
4-Hydroxy-5-(5-méthyl-3-phényl-1H-pyrazol-4-yl)phtalonitrile [French] [ACD/IUPAC Name]
4-Hydroxy-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)phthalonitril [German] [ACD/IUPAC Name]
4-Hydroxy-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)phthalonitrile [ACD/IUPAC Name]
4-hydroxy-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzene-1,2-dicarbonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 541.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 281.3±30.1 °C
Index of Refraction: 1.703
Molar Refractivity: 83.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 165.89
ACD/KOC (pH 5.5): 1180.97
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 5.61
ACD/KOC (pH 7.4): 39.97
Polar Surface Area: 96 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 87.2±5.0 dyne/cm
Molar Volume: 214.4±5.0 cm3

Click to predict properties on the Chemicalize site


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