ChemSpider 2D Image | {3-[(4-Chloro-5-methoxy-3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}boronic acid | C12H12BClN2O4

{3-[(4-Chloro-5-methoxy-3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}boronic acid

  • Molecular FormulaC12H12BClN2O4
  • Average mass294.499 Da
  • Monoisotopic mass294.057861 Da
  • ChemSpider ID92138297

More details:

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

{3-[(4-Chlor-5-methoxy-3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}borsäure [German] [ACD/IUPAC Name]
{3-[(4-Chloro-5-methoxy-3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}boronic acid [ACD/IUPAC Name]
Acide {3-[(4-chloro-5-méthoxy-3-méthyl-1H-pyrazol-1-yl)carbonyl]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[(4-chloro-5-methoxy-3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 548.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 285.7±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 72.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.37
ACD/KOC (pH 5.5): 310.17
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 9.60
ACD/KOC (pH 7.4): 139.24
Polar Surface Area: 85 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 215.2±7.0 cm3

Click to predict properties on the Chemicalize site


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