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Search term: MF = 'C_{11}H_{13}N_{5}O_{4}S'
ChemSpider 2D Image | Methyl 4-{[2-(2H-tetrazol-2-yl)ethyl]sulfamoyl}benzoate | C11H13N5O4S

Methyl 4-{[2-(2H-tetrazol-2-yl)ethyl]sulfamoyl}benzoate

  • Molecular FormulaC11H13N5O4S
  • Average mass311.317 Da
  • Monoisotopic mass311.068817 Da
  • ChemSpider ID60542070

More details:

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

4-{[2-(2H-Tétrazol-2-yl)éthyl]sulfamoyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[2-(2H-tetrazol-2-yl)ethyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
Methyl 4-{[2-(2H-tetrazol-2-yl)ethyl]sulfamoyl}benzoate [ACD/IUPAC Name]
Methyl-4-{[2-(2H-tetrazol-2-yl)ethyl]sulfamoyl}benzoat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 526.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.1±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 76.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 57.79
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 2.01
ACD/KOC (pH 7.4): 57.05
Polar Surface Area: 124 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 205.6±7.0 cm3

Click to predict properties on the Chemicalize site


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