ChemSpider 2D Image | Methyl 3-(2,4,6-trichloro-5-pyrimidinyl)-2-propynoate | C8H3Cl3N2O2

Methyl 3-(2,4,6-trichloro-5-pyrimidinyl)-2-propynoate

  • Molecular FormulaC8H3Cl3N2O2
  • Average mass265.481 Da
  • Monoisotopic mass263.925995 Da
  • ChemSpider ID94597931

More details:

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

2-Propynoic acid, 3-(2,4,6-trichloro-5-pyrimidinyl)-, methyl ester [ACD/Index Name]
3-(2,4,6-Trichloro-5-pyrimidinyl)-2-propynoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(2,4,6-trichloro-5-pyrimidinyl)-2-propynoate [ACD/IUPAC Name]
Methyl-3-(2,4,6-trichlor-5-pyrimidinyl)propiolat [German] [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: 353.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 167.4±27.9 °C
Index of Refraction: 1.599
Molar Refractivity: 55.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.66
ACD/KOC (pH 5.5): 467.36
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.66
ACD/KOC (pH 7.4): 467.36
Polar Surface Area: 52 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 161.6±5.0 cm3

Click to predict properties on the Chemicalize site


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