ChemSpider 2D Image | 2-(3-Chloro-4-fluorobenzyl)-6,7-dihydroxy-1-isoindolinone | C15H11ClFNO3

2-(3-Chloro-4-fluorobenzyl)-6,7-dihydroxy-1-isoindolinone

  • Molecular FormulaC15H11ClFNO3
  • Average mass307.704 Da
  • Monoisotopic mass307.041138 Da
  • ChemSpider ID23310430

More details:






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

1H-Isoindol-1-one, 2-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-6,7-dihydroxy- [ACD/Index Name]
2-(3-Chlor-4-fluorbenzyl)-6,7-dihydroxy-1-isoindolinon [German] [ACD/IUPAC Name]
2-(3-Chloro-4-fluorobenzyl)-6,7-dihydroxy-1-isoindolinone [ACD/IUPAC Name]
2-(3-Chloro-4-fluorobenzyl)-6,7-dihydroxy-1-isoindolinone [French] [ACD/IUPAC Name]
2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1H-isoindol-1-one
19C
2,3-dihydro-6,7-dihydroxy-2-[(3-chloro-4-fluorophenyl)methyl]-1Hisoindol-1-one
2-[(3-Chloranyl-4-Fluoranyl-Phenyl)methyl]-6,7-Bis(Oxidanyl)isoindol-1-One

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

Density: 1.6±0.1 g/cm3
Boiling Point: 563.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 294.7±30.1 °C
Index of Refraction: 1.689
Molar Refractivity: 75.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 156.32
ACD/KOC (pH 5.5): 1293.39
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 127.21
ACD/KOC (pH 7.4): 1052.54
Polar Surface Area: 61 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 70.9±3.0 dyne/cm
Molar Volume: 197.4±3.0 cm3

Click to predict properties on the Chemicalize site






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