Found 3 results

Search term: WRQNDLDUNQMTCL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | {4-[(~2~H_5_)Ethyloxy]phenyl}boronic acid | C8H6D5BO3

{4-[(2H5)Ethyloxy]phenyl}boronic acid

  • Molecular FormulaC8H6D5BO3
  • Average mass171.013 Da
  • Monoisotopic mass171.111511 Da
  • ChemSpider ID27459401

  • Non-standard isotope - Non-standard isotope

More details:

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

{4-[(2H5)Ethyloxy]phenyl}boronic acid [ACD/IUPAC Name]
{4-[(2H5)Ethyloxy]phenyl}borsäure [German] [ACD/IUPAC Name]
1398503-84-8 [RN]
Acide {4-[(2H5)éthyloxy]phényl}boronique [French] [ACD/IUPAC Name]
B-[4-(Ethoxy-1,1,2,2,2-d5)phenyl]boronic acid
Boronic acid, B-[4-(ethyl-d5-oxy)phenyl]- [ACD/Index Name]
4-(Ethoxy-d5)-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: 317.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 145.9±28.4 °C
Index of Refraction: 1.518
Molar Refractivity: 44.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.81
ACD/KOC (pH 5.5): 215.98
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.49
ACD/KOC (pH 7.4): 210.54
Polar Surface Area: 50 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 146.0±5.0 cm3

Click to predict properties on the Chemicalize site


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