ChemSpider 2D Image | {(1R)-6,8-Difluoro-9-[4-(methylsulfonyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazol-1-yl}acetic acid | C22H21F2NO4S

{(1R)-6,8-Difluoro-9-[4-(methylsulfonyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazol-1-yl}acetic acid

  • Molecular FormulaC22H21F2NO4S
  • Average mass433.468 Da
  • Monoisotopic mass433.115936 Da
  • ChemSpider ID32807523

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(1R)-6,8-Difluor-9-[4-(methylsulfonyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazol-1-yl}essigsäure [German] [ACD/IUPAC Name]
{(1R)-6,8-Difluoro-9-[4-(methylsulfonyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazol-1-yl}acetic acid [ACD/IUPAC Name]
1H-Carbazole-1-acetic acid, 6,8-difluoro-2,3,4,9-tetrahydro-9-[[4-(methylsulfonyl)phenyl]methyl]-, (1R)- [ACD/Index Name]
Acide {(1R)-6,8-difluoro-9-[4-(méthylsulfonyl)benzyl]-2,3,4,9-tétrahydro-1H-carbazol-1-yl}acétique [French] [ACD/IUPAC Name]
(R)-2-(6,8-difluoro-9-(4-(methylsulfonyl)benzyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetic acid
121083-05-4 [RN]
L-670,596

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

Density: 1.4±0.1 g/cm3
Boiling Point: 693.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 373.2±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 108.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 66.08
ACD/KOC (pH 5.5): 365.69
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 5.75
Polar Surface Area: 85 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 303.0±7.0 cm3

Click to predict properties on the Chemicalize site


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