Found 3 results

Search term: XTVMZKCCFLOJBL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | {4-[(~2~H_3_)-1H-Pyrazol-1-yl](~2~H_4_)phenyl}boronic acid | C9H2D7BN2O2

{4-[(2H3)-1H-Pyrazol-1-yl](2H4)phenyl}boronic acid

  • Molecular FormulaC9H2D7BN2O2
  • Average mass195.034 Da
  • Monoisotopic mass195.119644 Da
  • ChemSpider ID111329356

  • Non-standard isotope - Non-standard isotope

More details:

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

{4-[(2H3)-1H-Pyrazol-1-yl](2H4)phenyl}boronic acid [ACD/IUPAC Name]
{4-[(2H3)-1H-Pyrazol-1-yl](2H4)phenyl}borsäure [German] [ACD/IUPAC Name]
Acide {4-[(2H3)-1H-pyrazol-1-yl](2H4)phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-(1H-pyrazol-1-yl-d3)phenyl-2,3,5,6-d4]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 374.1±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 180.0±28.4 °C
Index of Refraction: 1.590
Molar Refractivity: 52.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.09
ACD/KOC (pH 5.5): 141.38
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.21
ACD/KOC (pH 7.4): 123.85
Polar Surface Area: 58 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 155.5±7.0 cm3

Click to predict properties on the Chemicalize site


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