ChemSpider 2D Image | {5-[(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(2-methoxyethyl)-1H-1,2,4-triazol-1-yl}acetic acid | C16H18ClN3O5

{5-[(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(2-methoxyethyl)-1H-1,2,4-triazol-1-yl}acetic acid

  • Molecular FormulaC16H18ClN3O5
  • Average mass367.784 Da
  • Monoisotopic mass367.093506 Da
  • ChemSpider ID30982733

More details:

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

{5-[(7-Chlor-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(2-methoxyethyl)-1H-1,2,4-triazol-1-yl}essigsäure [German] [ACD/IUPAC Name]
{5-[(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(2-methoxyethyl)-1H-1,2,4-triazol-1-yl}acetic acid [ACD/IUPAC Name]
1H-1,2,4-Triazole-1-acetic acid, 5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(2-methoxyethyl)- [ACD/Index Name]
Acide {5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)méthyl]-3-(2-méthoxyéthyl)-1H-1,2,4-triazol-1-yl}acétique [French] [ACD/IUPAC Name]
[5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(2-methoxyethyl)-1H-1,2,4-triazol-1-yl]acetic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 614.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 325.1±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 89.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.93
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 247.3±7.0 cm3

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