ChemSpider 2D Image | {4-[(1R)-1-Amino-2-(methylsulfonyl)ethyl]-3-fluorophenyl}boronic acid | C9H13BFNO4S

{4-[(1R)-1-Amino-2-(methylsulfonyl)ethyl]-3-fluorophenyl}boronic acid

  • Molecular FormulaC9H13BFNO4S
  • Average mass261.078 Da
  • Monoisotopic mass261.064240 Da
  • ChemSpider ID110549127

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{4-[(1R)-1-Amino-2-(methylsulfonyl)ethyl]-3-fluorophenyl}boronic acid [ACD/IUPAC Name]
{4-[(1R)-1-Amino-2-(methylsulfonyl)ethyl]-3-fluorphenyl}borsäure [German] [ACD/IUPAC Name]
Acide {4-[(1R)-1-amino-2-(méthylsulfonyl)éthyl]-3-fluorophényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-[(1R)-1-amino-2-(methylsulfonyl)ethyl]-3-fluorophenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 529.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 274.2±32.9 °C
Index of Refraction: 1.559
Molar Refractivity: 59.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.12
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.64
Polar Surface Area: 109 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 184.9±5.0 cm3

Click to predict properties on the Chemicalize site


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