ChemSpider 2D Image | 4-Chloro-2,5-dihydroxybenzonitrile | C7H4ClNO2

4-Chloro-2,5-dihydroxybenzonitrile

  • Molecular FormulaC7H4ClNO2
  • Average mass169.565 Da
  • Monoisotopic mass168.993057 Da
  • ChemSpider ID24764236

More details:






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

4-Chlor-2,5-dihydroxybenzonitril [German] [ACD/IUPAC Name]
4-Chloro-2,5-dihydroxybenzonitrile [ACD/IUPAC Name]
4-Chloro-2,5-dihydroxybenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-chloro-2,5-dihydroxy- [ACD/Index Name]
4-chloro-2,5-dihydroxybenzenecarbonitrile
58543-90-1 [RN]
BENZONITRILE,4-CHLORO-2,5-DIHYDROXY-
MFCD11225809

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

Density: 1.6±0.1 g/cm3
Boiling Point: 331.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 154.1±27.9 °C
Index of Refraction: 1.664
Molar Refractivity: 39.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.62
ACD/KOC (pH 5.5): 289.71
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 68.84
Polar Surface Area: 64 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 84.6±5.0 dyne/cm
Molar Volume: 105.7±5.0 cm3

Click to predict properties on the Chemicalize site






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