ChemSpider 2D Image | 2-(5-Chloro-2-thienyl)-2-oxoethyl (3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetate | C13H12ClN3O5S

2-(5-Chloro-2-thienyl)-2-oxoethyl (3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetate

  • Molecular FormulaC13H12ClN3O5S
  • Average mass357.770 Da
  • Monoisotopic mass357.018616 Da
  • ChemSpider ID22272692

More details:

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

(3,5-Diméthyl-4-nitro-1H-pyrazol-1-yl)acétate de 2-(5-chloro-2-thiényl)-2-oxoéthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 3,5-dimethyl-4-nitro-, 2-(5-chloro-2-thienyl)-2-oxoethyl ester [ACD/Index Name]
2-(5-Chlor-2-thienyl)-2-oxoethyl-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetat [German] [ACD/IUPAC Name]
2-(5-Chloro-2-thienyl)-2-oxoethyl (3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetate [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: 541.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.5±30.1 °C
Index of Refraction: 1.667
Molar Refractivity: 85.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.07
ACD/KOC (pH 5.5): 1128.63
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.07
ACD/KOC (pH 7.4): 1128.63
Polar Surface Area: 135 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 228.9±7.0 cm3

Click to predict properties on the Chemicalize site


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