Found 3 results

Search term: CSVKZOZMPSRLTC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | {5-(~2~H_3_)Methyl-2-[(~2~H_3_)methyloxy]phenyl}boronic acid | C8H5D6BO3

{5-(2H3)Methyl-2-[(2H3)methyloxy]phenyl}boronic acid

  • Molecular FormulaC8H5D6BO3
  • Average mass172.019 Da
  • Monoisotopic mass172.117783 Da
  • ChemSpider ID53605372

  • Non-standard isotope - Non-standard isotope

More details:

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

{5-(2H3)Methyl-2-[(2H3)methyloxy]phenyl}boronic acid [ACD/IUPAC Name]
{5-(2H3)Methyl-2-[(2H3)methyloxy]phenyl}borsäure [German] [ACD/IUPAC Name]
Acide {5-(2H3)méthyl-2-[(2H3)méthyloxy]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[5-(methyl-d3)-2-(methyl-d3-oxy)phenyl]- [ACD/Index Name]
(2-Methoxy-5-methyl-d6)-phenylboronic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 342.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 160.7±30.7 °C
Index of Refraction: 1.520
Molar Refractivity: 44.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.97
ACD/KOC (pH 5.5): 229.72
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.23
ACD/KOC (pH 7.4): 217.62
Polar Surface Area: 50 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 145.6±5.0 cm3

Click to predict properties on the Chemicalize site


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