ChemSpider 2D Image | {3-(Methoxycarbonyl)-4-[(methylsulfonyl)amino]phenyl}boronic acid | C9H12BNO6S

{3-(Methoxycarbonyl)-4-[(methylsulfonyl)amino]phenyl}boronic acid

  • Molecular FormulaC9H12BNO6S
  • Average mass273.071 Da
  • Monoisotopic mass273.047852 Da
  • ChemSpider ID61980530

More details:

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

{3-(Methoxycarbonyl)-4-[(methylsulfonyl)amino]phenyl}boronic acid [ACD/IUPAC Name]
{3-(Methoxycarbonyl)-4-[(methylsulfonyl)amino]phenyl}borsäure [German] [ACD/IUPAC Name]
Acide {3-(méthoxycarbonyl)-4-[(méthylsulfonyl)amino]phényl}boronique [French] [ACD/IUPAC Name]
Benzoic acid, 5-borono-2-[(methylsulfonyl)amino]-, methyl ester [ACD/Index Name]
1416252-00-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 498.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 255.1±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 61.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.46
ACD/KOC (pH 5.5): 100.82
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 29.48
Polar Surface Area: 121 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 186.4±5.0 cm3

Click to predict properties on the Chemicalize site


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