ChemSpider 2D Image | (3-Methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate | C12H11ClN2O5S

(3-Methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate

  • Molecular FormulaC12H11ClN2O5S
  • Average mass330.744 Da
  • Monoisotopic mass330.007721 Da
  • ChemSpider ID26170778

More details:






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

(3-Methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate [ACD/IUPAC Name]
(3-Methyl-1,2-oxazol-5-yl)methyl-4-chlor-3-sulfamoylbenzoat [German] [ACD/IUPAC Name]
4-Chloro-3-sulfamoylbenzoate de (3-méthyl-1,2-oxazol-5-yl)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(aminosulfonyl)-4-chloro-, (3-methyl-5-isoxazolyl)methyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 557.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.1±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 74.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.65
ACD/KOC (pH 5.5): 149.34
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.55
ACD/KOC (pH 7.4): 147.46
Polar Surface Area: 121 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 221.2±3.0 cm3

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