ChemSpider 2D Image | [5-(4-Chloro-3-methyl-1H-pyrazol-5-yl)-3-methyl-1H-1,2,4-triazol-1-yl]acetic acid | C9H10ClN5O2

[5-(4-Chloro-3-methyl-1H-pyrazol-5-yl)-3-methyl-1H-1,2,4-triazol-1-yl]acetic acid

  • Molecular FormulaC9H10ClN5O2
  • Average mass255.661 Da
  • Monoisotopic mass255.052307 Da
  • ChemSpider ID30947777

More details:

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

[5-(4-Chlor-3-methyl-1H-pyrazol-5-yl)-3-methyl-1H-1,2,4-triazol-1-yl]essigsäure [German] [ACD/IUPAC Name]
[5-(4-Chloro-3-methyl-1H-pyrazol-5-yl)-3-methyl-1H-1,2,4-triazol-1-yl]acetic acid [ACD/IUPAC Name]
1H-1,2,4-Triazole-1-acetic acid, 5-(4-chloro-3-methyl-1H-pyrazol-5-yl)-3-methyl- [ACD/Index Name]
Acide [5-(4-chloro-3-méthyl-1H-pyrazol-5-yl)-3-méthyl-1H-1,2,4-triazol-1-yl]acétique [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: 603.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 318.9±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 61.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 63.9±7.0 dyne/cm
Molar Volume: 152.3±7.0 cm3

Click to predict properties on the Chemicalize site


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