ChemSpider 2D Image | 2-(Cyclopentylcarbonyl)-7-[(2,6-dichlorobenzyl)oxy]-6,8-diiodo-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid | C23H21Cl2I2NO4

2-(Cyclopentylcarbonyl)-7-[(2,6-dichlorobenzyl)oxy]-6,8-diiodo-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid

  • Molecular FormulaC23H21Cl2I2NO4
  • Average mass700.132 Da
  • Monoisotopic mass698.893677 Da
  • ChemSpider ID8072097

More details:

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

2-(Cyclopentylcarbonyl)-7-[(2,6-dichlorbenzyl)oxy]-6,8-diiod-1,2,3,4-tetrahydro-3-isochinolincarbonsäure [German] [ACD/IUPAC Name]
2-(Cyclopentylcarbonyl)-7-[(2,6-dichlorobenzyl)oxy]-6,8-diiodo-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid [ACD/IUPAC Name]
2-(cyclopentylcarbonyl)-7-[(2,6-dichlorobenzyl)oxy]-6,8-diiodo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
3-Isoquinolinecarboxylic acid, 2-(cyclopentylcarbonyl)-7-[(2,6-dichlorophenyl)methoxy]-1,2,3,4-tetrahydro-6,8-diiodo- [ACD/Index Name]
Acide 2-(cyclopentylcarbonyl)-7-[(2,6-dichlorobenzyl)oxy]-6,8-diiodo-1,2,3,4-tétrahydro-3-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
2-Cyclopentanecarbonyl-7-(2,6-dichloro-benzyloxy)-6,8-diiodo-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
CHEMBL160631

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

Density: 1.9±0.1 g/cm3
Boiling Point: 761.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 414.2±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 140.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 256.21
ACD/KOC (pH 5.5): 331.83
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 22.00
ACD/KOC (pH 7.4): 28.50
Polar Surface Area: 67 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 65.5±3.0 dyne/cm
Molar Volume: 368.3±3.0 cm3

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