ChemSpider 2D Image | {(1S,5S,6R,7R)-3-[(3-Chloro-4-fluorophenyl)sulfonyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl}methanol | C15H17ClFNO4S

{(1S,5S,6R,7R)-3-[(3-Chloro-4-fluorophenyl)sulfonyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-6-yl}methanol

  • Molecular FormulaC15H17ClFNO4S
  • Average mass361.816 Da
  • Monoisotopic mass361.055084 Da
  • ChemSpider ID103856902

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{(1S,5S,6R,7R)-3-[(3-Chlor-4-fluorphenyl)sulfonyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-6-yl}methanol [German] [ACD/IUPAC Name]
{(1S,5S,6R,7R)-3-[(3-Chloro-4-fluorophenyl)sulfonyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-6-yl}methanol [ACD/IUPAC Name]
{(1S,5S,6R,7R)-3-[(3-Chloro-4-fluorophényl)sulfonyl]-10-oxa-3-azatricyclo[5.2.1.01,5]déc-6-yl}méthanol [French] [ACD/IUPAC Name]
3a,6-Epoxy-3aH-isoindole-7-methanol, 2-[(3-chloro-4-fluorophenyl)sulfonyl]octahydro-, (3aS,6R,7R,7aS)- [ACD/Index Name]
{rel-(1S,5S,6R,7R)-3-[(3-chloro-4-fluorophenyl)sulfonyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-6-yl}methanol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 530.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 274.8±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 83.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.11
ACD/KOC (pH 5.5): 379.05
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.11
ACD/KOC (pH 7.4): 379.05
Polar Surface Area: 75 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 228.8±5.0 cm3

Click to predict properties on the Chemicalize site


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