ChemSpider 2D Image | (7-{3-[(2-Hydroxyethyl)sulfanyl]-1-propyn-1-yl}-1H-indol-2-yl)boronic acid | C13H14BNO3S

(7-{3-[(2-Hydroxyethyl)sulfanyl]-1-propyn-1-yl}-1H-indol-2-yl)boronic acid

  • Molecular FormulaC13H14BNO3S
  • Average mass275.131 Da
  • Monoisotopic mass275.078735 Da
  • ChemSpider ID114509845

More details:

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

(7-{3-[(2-Hydroxyethyl)sulfanyl]-1-propin-1-yl}-1H-indol-2-yl)borsäure [German] [ACD/IUPAC Name]
(7-{3-[(2-Hydroxyethyl)sulfanyl]-1-propyn-1-yl}-1H-indol-2-yl)boronic acid [ACD/IUPAC Name]
Acide (7-{3-[(2-hydroxyéthyl)sulfanyl]-1-propyn-1-yl}-1H-indol-2-yl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[7-[3-[(2-hydroxyethyl)thio]-1-propyn-1-yl]-1H-indol-2-yl]- [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: 602.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 318.4±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 75.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.19
ACD/KOC (pH 5.5): 417.66
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.06
ACD/KOC (pH 7.4): 416.02
Polar Surface Area: 102 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 76.8±5.0 dyne/cm
Molar Volume: 197.0±5.0 cm3

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