ChemSpider 2D Image | [1-(4-Chlorophenyl)-4-(ethoxycarbonyl)-1H-pyrazol-5-yl]boronic acid | C12H12BClN2O4

[1-(4-Chlorophenyl)-4-(ethoxycarbonyl)-1H-pyrazol-5-yl]boronic acid

  • Molecular FormulaC12H12BClN2O4
  • Average mass294.499 Da
  • Monoisotopic mass294.057861 Da
  • ChemSpider ID24745979

More details:

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

[1-(4-Chlorophenyl)-4-(ethoxycarbonyl)-1H-pyrazol-5-yl]boronic acid [ACD/IUPAC Name]
[1-(4-Chlorphenyl)-4-(ethoxycarbonyl)-1H-pyrazol-5-yl]borsäure [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 5-borono-1-(4-chlorophenyl)-, ethyl ester [ACD/Index Name]
Acide [1-(4-chlorophényl)-4-(éthoxycarbonyl)-1H-pyrazol-5-yl]boronique [French] [ACD/IUPAC Name]
(1-(4-Chlorophenyl)-4-(ethoxycarbonyl)-1H-pyrazol-5-yl)boronic acid
1-(4-chlorophenyl)-4-(ethoxycarbonyl)-1H-pyrazol-5-ylboronic acid
MFCD17215124

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

Density: 1.4±0.1 g/cm3
Boiling Point: 495.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 253.2±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 73.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.26
ACD/KOC (pH 5.5): 556.49
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 26.56
ACD/KOC (pH 7.4): 306.23
Polar Surface Area: 85 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 216.1±7.0 cm3

Click to predict properties on the Chemicalize site


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