ChemSpider 2D Image | (8-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl [5-oxo-4-(2-thienyl)-4,5-dihydro-1H-tetrazol-1-yl]acetate | C16H13ClN4O5S

(8-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl [5-oxo-4-(2-thienyl)-4,5-dihydro-1H-tetrazol-1-yl]acetate

  • Molecular FormulaC16H13ClN4O5S
  • Average mass408.816 Da
  • Monoisotopic mass408.029510 Da
  • ChemSpider ID22820127

More details:

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

(8-Chlor-2,3-dihydro-1,4-benzodioxin-6-yl)methyl-[5-oxo-4-(2-thienyl)-4,5-dihydro-1H-tetrazol-1-yl]acetat [German] [ACD/IUPAC Name]
(8-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl [5-oxo-4-(2-thienyl)-4,5-dihydro-1H-tetrazol-1-yl]acetate [ACD/IUPAC Name]
[5-Oxo-4-(2-thiényl)-4,5-dihydro-1H-tétrazol-1-yl]acétate de (8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)méthyle [French] [ACD/IUPAC Name]
1H-Tetrazole-1-acetic acid, 4,5-dihydro-5-oxo-4-(2-thienyl)-, (8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl ester [ACD/Index 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: 529.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.1±32.9 °C
Index of Refraction: 1.736
Molar Refractivity: 98.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.54
ACD/KOC (pH 5.5): 576.85
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.54
ACD/KOC (pH 7.4): 576.85
Polar Surface Area: 121 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 69.8±7.0 dyne/cm
Molar Volume: 244.9±7.0 cm3

Click to predict properties on the Chemicalize site


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