ChemSpider 2D Image | 3-(sec-Butoxymethyl)-1-cyclopentyl-1H-pyrazole-4-sulfonyl chloride | C13H21ClN2O3S

3-(sec-Butoxymethyl)-1-cyclopentyl-1H-pyrazole-4-sulfonyl chloride

  • Molecular FormulaC13H21ClN2O3S
  • Average mass320.835 Da
  • Monoisotopic mass320.096130 Da
  • ChemSpider ID53606572

More details:

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

1H-Pyrazole-4-sulfonyl chloride, 1-cyclopentyl-3-[(1-methylpropoxy)methyl]- [ACD/Index Name]
3-(sec-Butoxymethyl)-1-cyclopentyl-1H-pyrazol-4-sulfonylchlorid [German] [ACD/IUPAC Name]
3-(sec-Butoxymethyl)-1-cyclopentyl-1H-pyrazole-4-sulfonyl chloride [ACD/IUPAC Name]
Chlorure de 3-(sec-butoxyméthyl)-1-cyclopentyl-1H-pyrazole-4-sulfonyle [French] [ACD/IUPAC Name]
1856072-51-9 [RN]
1-CYCLOPENTYL-3-(SEC-BUTOXYMETHYL)PYRAZOLE-4-SULFONYL CHLORIDE
3-[(BUTAN-2-YLOXY)METHYL]-1-CYCLOPENTYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE
MFCD29910508

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

Density: 1.4±0.1 g/cm3
Boiling Point: 437.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 218.4±25.9 °C
Index of Refraction: 1.595
Molar Refractivity: 79.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.03
ACD/KOC (pH 5.5): 858.17
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 88.03
ACD/KOC (pH 7.4): 858.17
Polar Surface Area: 70 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 234.8±7.0 cm3

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