ChemSpider 2D Image | 4-(3-Amino-1H-pyrazol-1-yl)-3-chlorobenzonitrile | C10H7ClN4

4-(3-Amino-1H-pyrazol-1-yl)-3-chlorobenzonitrile

  • Molecular FormulaC10H7ClN4
  • Average mass218.642 Da
  • Monoisotopic mass218.035919 Da
  • ChemSpider ID27935181

More details:

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

4-(3-Amino-1H-pyrazol-1-yl)-3-chlorbenzonitril [German] [ACD/IUPAC Name]
4-(3-Amino-1H-pyrazol-1-yl)-3-chlorobenzonitrile [ACD/IUPAC Name]
4-(3-Amino-1H-pyrazol-1-yl)-3-chlorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(3-amino-1H-pyrazol-1-yl)-3-chloro- [ACD/Index Name]
1343126-68-0 [RN]
MFCD17291054

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

Density: 1.4±0.1 g/cm3
Boiling Point: 413.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 203.8±27.3 °C
Index of Refraction: 1.686
Molar Refractivity: 59.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.34
ACD/KOC (pH 5.5): 321.18
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.45
ACD/KOC (pH 7.4): 322.71
Polar Surface Area: 68 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 154.9±7.0 cm3

Click to predict properties on the Chemicalize site


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