Found 2 results

Search term: IYAGASZZPOEXPZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | {2-Bromo-4-[(~2~H_3_)methyloxy]phenyl}boronic acid | C7H5D3BBrO3

{2-Bromo-4-[(2H3)methyloxy]phenyl}boronic acid

  • Molecular FormulaC7H5D3BBrO3
  • Average mass233.870 Da
  • Monoisotopic mass232.993805 Da
  • ChemSpider ID53605357

  • Non-standard isotope - Non-standard isotope

More details:

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

{2-Brom-4-[(2H3)methyloxy]phenyl}borsäure [German] [ACD/IUPAC Name]
{2-Bromo-4-[(2H3)methyloxy]phenyl}boronic acid [ACD/IUPAC Name]
Acide {2-bromo-4-[(2H3)méthyloxy]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-bromo-4-(methyl-d3-oxy)phenyl]- [ACD/Index Name]
2-Bromo-4-(methoxy-d3)-phenylboronic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 355.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 168.8±30.7 °C
Index of Refraction: 1.579
Molar Refractivity: 47.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.52
ACD/KOC (pH 5.5): 363.49
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.22
ACD/KOC (pH 7.4): 345.67
Polar Surface Area: 50 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 142.6±5.0 cm3

Click to predict properties on the Chemicalize site


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