ChemSpider 2D Image | 2-(3-Chloro-4-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione | C15H9ClFNO4

2-(3-Chloro-4-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC15H9ClFNO4
  • Average mass321.688 Da
  • Monoisotopic mass321.020416 Da
  • ChemSpider ID24625311

More details:






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

1H-Isoindole-1,3(2H)-dione, 2-[(3-chloro-4-fluorophenyl)methyl]-4,5-dihydroxy- [ACD/Index Name]
2-(3-Chlor-4-fluorbenzyl)-4,5-dihydroxy-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-(3-Chloro-4-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-(3-Chloro-4-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-(3-Chloro-4-Fluorobenzyl)-4,5-Dihydroxy-1h-Isoindole-1,3(2h)-Dionehetsyn
CIJ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 536.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 278.1±30.1 °C
Index of Refraction: 1.706
Molar Refractivity: 75.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 75.35
ACD/KOC (pH 5.5): 746.60
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 9.01
ACD/KOC (pH 7.4): 89.26
Polar Surface Area: 78 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 78.9±3.0 dyne/cm
Molar Volume: 193.9±3.0 cm3

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