ChemSpider 2D Image | 4-[(5-Chloro-2-thienyl)ethynyl]-1H-pyrazole-3-carbonyl chloride | C10H4Cl2N2OS

4-[(5-Chloro-2-thienyl)ethynyl]-1H-pyrazole-3-carbonyl chloride

  • Molecular FormulaC10H4Cl2N2OS
  • Average mass271.123 Da
  • Monoisotopic mass269.942139 Da
  • ChemSpider ID84169566

More details:

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

1H-Pyrazole-3-carbonyl chloride, 4-[2-(5-chloro-2-thienyl)ethynyl]- [ACD/Index Name]
4-[(5-Chlor-2-thienyl)ethinyl]-1H-pyrazol-3-carbonylchlorid [German] [ACD/IUPAC Name]
4-[(5-Chloro-2-thienyl)ethynyl]-1H-pyrazole-3-carbonyl chloride [ACD/IUPAC Name]
Chlorure de 4-[(5-chloro-2-thiényl)éthynyl]-1H-pyrazole-3-carbonyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 500.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.4±30.1 °C
Index of Refraction: 1.690
Molar Refractivity: 63.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.15
ACD/KOC (pH 5.5): 1033.46
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 110.96
ACD/KOC (pH 7.4): 1004.58
Polar Surface Area: 74 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 164.8±5.0 cm3

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