ChemSpider 2D Image | [({[4-(1H-Tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid | C9H9BF3N5O4S

[({[4-(1H-Tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid

  • Molecular FormulaC9H9BF3N5O4S
  • Average mass351.070 Da
  • Monoisotopic mass351.042053 Da
  • ChemSpider ID35033413

More details:

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

[({[4-(1H-Tetrazol-5-yl)-2-(trifluormethyl)phenyl]sulfonyl}amino)methyl]borsäure [German] [ACD/IUPAC Name]
[({[4-(1H-Tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid [ACD/IUPAC Name]
Acide [({[4-(1H-tétrazol-5-yl)-2-(trifluorométhyl)phényl]sulfonyl}amino)méthyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[[[[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl]amino]methyl]- [ACD/Index 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: 600.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 317.0±34.3 °C
Index of Refraction: 1.543
Molar Refractivity: 67.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.52
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 213.8±3.0 cm3

Click to predict properties on the Chemicalize site


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