ChemSpider 2D Image | 4-(2,4,6-Trichloro-5-pyrimidinyl)-3-butynoic acid | C8H3Cl3N2O2

4-(2,4,6-Trichloro-5-pyrimidinyl)-3-butynoic acid

  • Molecular FormulaC8H3Cl3N2O2
  • Average mass265.481 Da
  • Monoisotopic mass263.925995 Da
  • ChemSpider ID89672130

More details:

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

3-Butynoic acid, 4-(2,4,6-trichloro-5-pyrimidinyl)- [ACD/Index Name]
4-(2,4,6-Trichlor-5-pyrimidinyl)-3-butinsäure [German] [ACD/IUPAC Name]
4-(2,4,6-Trichloro-5-pyrimidinyl)-3-butynoic acid [ACD/IUPAC Name]
Acide 4-(2,4,6-trichloro-5-pyrimidinyl)-3-butynoïque [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: 428.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 213.0±28.7 °C
Index of Refraction: 1.639
Molar Refractivity: 55.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.74
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 86.3±5.0 dyne/cm
Molar Volume: 152.8±5.0 cm3

Click to predict properties on the Chemicalize site


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