ChemSpider 2D Image | 3-[(3-Amino-1H-pyrazol-1-yl)sulfonyl]benzonitrile | C10H8N4O2S

3-[(3-Amino-1H-pyrazol-1-yl)sulfonyl]benzonitrile

  • Molecular FormulaC10H8N4O2S
  • Average mass248.261 Da
  • Monoisotopic mass248.036789 Da
  • ChemSpider ID26054472

More details:

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

3-[(3-Amino-1H-pyrazol-1-yl)sulfonyl]benzonitril [German] [ACD/IUPAC Name]
3-[(3-Amino-1H-pyrazol-1-yl)sulfonyl]benzonitrile [ACD/IUPAC Name]
3-[(3-Amino-1H-pyrazol-1-yl)sulfonyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[(3-amino-1H-pyrazol-1-yl)sulfonyl]- [ACD/Index Name]
1306603-34-8 [RN]
3-(3-amino-1H-pyrazole-1-sulfonyl)benzonitrile
3-(3-AMINOPYRAZOL-1-YLSULFONYL)BENZONITRILE
MFCD18838774

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

Density: 1.5±0.1 g/cm3
Boiling Point: 532.0±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.5±31.8 °C
Index of Refraction: 1.700
Molar Refractivity: 64.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.05
ACD/KOC (pH 5.5): 58.10
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 58.11
Polar Surface Area: 110 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 70.1±7.0 dyne/cm
Molar Volume: 166.0±7.0 cm3

Click to predict properties on the Chemicalize site


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