ChemSpider 2D Image | 6-Amino-1-(2-chloro-6-fluorobenzyl)-4-(4-chlorophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | C21H15Cl2FN4O

6-Amino-1-(2-chloro-6-fluorobenzyl)-4-(4-chlorophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

  • Molecular FormulaC21H15Cl2FN4O
  • Average mass429.274 Da
  • Monoisotopic mass428.060699 Da
  • ChemSpider ID119992042

More details:

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

6-Amino-1-(2-chlor-6-fluorbenzyl)-4-(4-chlorphenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
6-Amino-1-(2-chloro-6-fluorobenzyl)-4-(4-chlorophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [ACD/IUPAC Name]
6-Amino-1-(2-chloro-6-fluorobenzyl)-4-(4-chlorophényl)-3-méthyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-chlorophenyl)-1,4-dihydro-3-methyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 622.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.0±31.5 °C
Index of Refraction: 1.677
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3515.54
ACD/KOC (pH 5.5): 12013.59
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3519.55
ACD/KOC (pH 7.4): 12027.30
Polar Surface Area: 77 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 292.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement