ChemSpider 2D Image | (3-{5-[(Methylsulfonyl)oxy]-1-pentyn-1-yl}-1,2-oxazol-5-yl)boronic acid | C9H12BNO6S

(3-{5-[(Methylsulfonyl)oxy]-1-pentyn-1-yl}-1,2-oxazol-5-yl)boronic acid

  • Molecular FormulaC9H12BNO6S
  • Average mass273.071 Da
  • Monoisotopic mass273.047852 Da
  • ChemSpider ID92209612

More details:

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

(3-{5-[(Methylsulfonyl)oxy]-1-pentin-1-yl}-1,2-oxazol-5-yl)borsäure [German] [ACD/IUPAC Name]
(3-{5-[(Methylsulfonyl)oxy]-1-pentyn-1-yl}-1,2-oxazol-5-yl)boronic acid [ACD/IUPAC Name]
Acide (3-{5-[(méthylsulfonyl)oxy]-1-pentyn-1-yl}-1,2-oxazol-5-yl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[5-[(methylsulfonyl)oxy]-1-pentyn-1-yl]-5-isoxazolyl]- [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: 603.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 318.7±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 59.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.17
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.65
Polar Surface Area: 118 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 189.6±5.0 cm3

Click to predict properties on the Chemicalize site


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