ChemSpider 2D Image | {(3R)-4-(4-Chlorobenzyl)-7-fluoro-5-[(~3~H_3_)methylsulfonyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl}acetic acid | C21H16T3ClFNO4S

{(3R)-4-(4-Chlorobenzyl)-7-fluoro-5-[(3H3)methylsulfonyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl}acetic acid

  • Molecular FormulaC21H16T3ClFNO4S
  • Average mass441.921 Da
  • Monoisotopic mass441.095398 Da
  • ChemSpider ID17266775

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

{(3R)-4-(4-Chlorbenzyl)-7-fluor-5-[(3H3)methylsulfonyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl}essigsäure [German] [ACD/IUPAC Name]
{(3R)-4-(4-Chlorobenzyl)-7-fluoro-5-[(3H3)methylsulfonyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl}acetic acid [ACD/IUPAC Name]
Acide {(3R)-4-(4-chlorobenzyl)-7-fluoro-5-[(3H3)méthylsulfonyl]-1,2,3,4-tétrahydrocyclopenta[b]indol-3-yl}acétique [French] [ACD/IUPAC Name]
Cyclopent[b]indole-3-acetic acid, 4-[(4-chlorophenyl)methyl]-7-fluoro-1,2,3,4-tetrahydro-5-(methyl-t3-sulfonyl)-, (3R)- [ACD/Index Name]

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

Density:
Boiling Point: 710.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 383.2±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 166.20
ACD/KOC (pH 5.5): 700.50
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 2.61
ACD/KOC (pH 7.4): 11.01
Polar Surface Area: 85 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement