ChemSpider 2D Image | 3-Amino-5-(3-chlorophenyl)-2-thiophenecarbonitrile | C11H7ClN2S

3-Amino-5-(3-chlorophenyl)-2-thiophenecarbonitrile

  • Molecular FormulaC11H7ClN2S
  • Average mass234.705 Da
  • Monoisotopic mass234.001846 Da
  • ChemSpider ID25994243

More details:

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

2-Thiophenecarbonitrile, 3-amino-5-(3-chlorophenyl)- [ACD/Index Name]
3-Amino-5-(3-chlorophenyl)-2-thiophenecarbonitrile [ACD/IUPAC Name]
3-Amino-5-(3-chlorophényl)-2-thiophènecarbonitrile [French] [ACD/IUPAC Name]
3-Amino-5-(3-chlorphenyl)-2-thiophencarbonitril [German] [ACD/IUPAC Name]
1208878-61-8 [RN]
3-amino-5-(3-chlorophenyl)thiophene-2-carbonitrile
MFCD13196262 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 465.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.3±28.7 °C
Index of Refraction: 1.685
Molar Refractivity: 62.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 125.15
ACD/KOC (pH 5.5): 1103.94
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 125.15
ACD/KOC (pH 7.4): 1103.98
Polar Surface Area: 78 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 164.7±5.0 cm3

Click to predict properties on the Chemicalize site


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