Found 53 results

Search term: MF = 'C_{22}H_{16}N_{2}O_{6}S_{2}'
ChemSpider 2D Image | 2-[5-(Ethylsulfonyl)-1,3-benzoxazol-2-yl]phenyl 2-cyanobenzenesulfonate | C22H16N2O6S2

2-[5-(Ethylsulfonyl)-1,3-benzoxazol-2-yl]phenyl 2-cyanobenzenesulfonate

  • Molecular FormulaC22H16N2O6S2
  • Average mass468.502 Da
  • Monoisotopic mass468.044983 Da
  • ChemSpider ID29227987

More details:

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

2-[5-(Ethylsulfonyl)-1,3-benzoxazol-2-yl]phenyl 2-cyanobenzenesulfonate [ACD/IUPAC Name]
2-[5-(Ethylsulfonyl)-1,3-benzoxazol-2-yl]phenyl-2-cyanbenzolsulfonat [German] [ACD/IUPAC Name]
2-Cyanobenzènesulfonate de 2-[5-(éthylsulfonyl)-1,3-benzoxazol-2-yl]phényle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-cyano-, 2-[5-(ethylsulfonyl)-2-benzoxazolyl]phenyl ester [ACD/Index 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: 716.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 387.3±32.9 °C
Index of Refraction: 1.698
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 96.86
ACD/KOC (pH 5.5): 918.98
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 96.86
ACD/KOC (pH 7.4): 918.98
Polar Surface Area: 144 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 80.5±5.0 dyne/cm
Molar Volume: 304.1±5.0 cm3

Click to predict properties on the Chemicalize site


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