ChemSpider 2D Image | 3-[4-(Chlorosulfonyl)-1H-pyrazol-3-yl]-2-propynoic acid | C6H3ClN2O4S

3-[4-(Chlorosulfonyl)-1H-pyrazol-3-yl]-2-propynoic acid

  • Molecular FormulaC6H3ClN2O4S
  • Average mass234.617 Da
  • Monoisotopic mass233.950211 Da
  • ChemSpider ID88217111

More details:

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

2-Propynoic acid, 3-[4-(chlorosulfonyl)-1H-pyrazol-3-yl]- [ACD/Index Name]
3-[4-(Chlorosulfonyl)-1H-pyrazol-3-yl]-2-propynoic acid [ACD/IUPAC Name]
3-[4-(Chlorsulfonyl)-1H-pyrazol-3-yl]-2-propinsäure [German] [ACD/IUPAC Name]
Acide 3-[4-(chlorosulfonyl)-1H-pyrazol-3-yl]-2-propynoïque [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 567.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.1±30.1 °C
Index of Refraction: 1.680
Molar Refractivity: 45.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -3.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 116.4±5.0 dyne/cm
Molar Volume: 120.9±5.0 cm3

Click to predict properties on the Chemicalize site


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