ChemSpider 2D Image | 1-(5-Bromo-2-pyridinyl)-5-chloro-3-(2-methyl-2-propanyl)-1H-pyrazole-4-sulfonyl chloride | C12H12BrCl2N3O2S

1-(5-Bromo-2-pyridinyl)-5-chloro-3-(2-methyl-2-propanyl)-1H-pyrazole-4-sulfonyl chloride

  • Molecular FormulaC12H12BrCl2N3O2S
  • Average mass413.118 Da
  • Monoisotopic mass410.921051 Da
  • ChemSpider ID40775501

More details:

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

1-(5-Brom-2-pyridinyl)-5-chlor-3-(2-methyl-2-propanyl)-1H-pyrazol-4-sulfonylchlorid [German] [ACD/IUPAC Name]
1-(5-Bromo-2-pyridinyl)-5-chloro-3-(2-methyl-2-propanyl)-1H-pyrazole-4-sulfonyl chloride [ACD/IUPAC Name]
1H-Pyrazole-4-sulfonyl chloride, 1-(5-bromo-2-pyridinyl)-5-chloro-3-(1,1-dimethylethyl)- [ACD/Index Name]
Chlorure de 1-(5-bromo-2-pyridinyl)-5-chloro-3-(2-méthyl-2-propanyl)-1H-pyrazole-4-sulfonyle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 475.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 241.2±28.7 °C
Index of Refraction: 1.655
Molar Refractivity: 89.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1907.72
ACD/KOC (pH 5.5): 7758.71
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1907.72
ACD/KOC (pH 7.4): 7758.71
Polar Surface Area: 73 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 243.3±7.0 cm3

Click to predict properties on the Chemicalize site


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