ChemSpider 2D Image | 4-(Isoindolin-2-Ylsulfonyl)benzene-1,3-Diol | C14H13NO4S

4-(Isoindolin-2-Ylsulfonyl)benzene-1,3-Diol

  • Molecular FormulaC14H13NO4S
  • Average mass291.322 Da
  • Monoisotopic mass291.056519 Da
  • ChemSpider ID26523515

More details:






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

1,3-Benzenediol, 4-[(1,3-dihydro-2H-isoindol-2-yl)sulfonyl]- [ACD/Index Name]
4-(1,3-Dihydro-2H-isoindol-2-ylsulfonyl)-1,3-benzenediol [ACD/IUPAC Name]
4-(1,3-Dihydro-2H-isoindol-2-ylsulfonyl)-1,3-benzènediol [French] [ACD/IUPAC Name]
4-(1,3-Dihydro-2H-isoindol-2-ylsulfonyl)-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-(Isoindolin-2-Ylsulfonyl)benzene-1,3-Diol
PV2

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

Density: 1.5±0.1 g/cm3
Boiling Point: 534.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 277.0±32.9 °C
Index of Refraction: 1.695
Molar Refractivity: 74.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 75.71
ACD/KOC (pH 5.5): 762.88
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 19.79
ACD/KOC (pH 7.4): 199.40
Polar Surface Area: 86 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 193.7±3.0 cm3

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