ChemSpider 2D Image | 4-Chloro-N-[2-(1H-1,2,3-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide | C9H10ClN5O

4-Chloro-N-[2-(1H-1,2,3-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide

  • Molecular FormulaC9H10ClN5O
  • Average mass239.662 Da
  • Monoisotopic mass239.057388 Da
  • ChemSpider ID52571985

More details:

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

1H-Pyrrole-2-carboxamide, 4-chloro-N-[2-(1H-1,2,3-triazol-5-yl)ethyl]- [ACD/Index Name]
4-Chlor-N-[2-(1H-1,2,3-triazol-5-yl)ethyl]-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4-Chloro-N-[2-(1H-1,2,3-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-Chloro-N-[2-(1H-1,2,3-triazol-5-yl)éthyl]-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 581.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.5±30.1 °C
Index of Refraction: 1.648
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.72
ACD/KOC (pH 5.5): 89.10
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.55
ACD/KOC (pH 7.4): 85.12
Polar Surface Area: 86 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 74.3±3.0 dyne/cm
Molar Volume: 162.0±3.0 cm3

Click to predict properties on the Chemicalize site


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