Found 31 results

Search term: MF = 'C_{20}H_{21}BN_{2}O_{6}'
ChemSpider 2D Image | (4-{5-[3-(4-Acetyl-2-methoxyphenoxy)propyl]-1,2,4-oxadiazol-3-yl}phenyl)boronic acid | C20H21BN2O6

(4-{5-[3-(4-Acetyl-2-methoxyphenoxy)propyl]-1,2,4-oxadiazol-3-yl}phenyl)boronic acid

  • Molecular FormulaC20H21BN2O6
  • Average mass396.202 Da
  • Monoisotopic mass396.149261 Da
  • ChemSpider ID72943033

More details:

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

(4-{5-[3-(4-Acetyl-2-methoxyphenoxy)propyl]-1,2,4-oxadiazol-3-yl}phenyl)boronic acid [ACD/IUPAC Name]
(4-{5-[3-(4-Acetyl-2-methoxyphenoxy)propyl]-1,2,4-oxadiazol-3-yl}phenyl)borsäure [German] [ACD/IUPAC Name]
Acide (4-{5-[3-(4-acétyl-2-méthoxyphénoxy)propyl]-1,2,4-oxadiazol-3-yl}phényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-[5-[3-(4-acetyl-2-methoxyphenoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 638.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 339.7±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 102.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.44
ACD/KOC (pH 5.5): 803.50
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 58.85
ACD/KOC (pH 7.4): 587.77
Polar Surface Area: 115 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 299.7±5.0 cm3

Click to predict properties on the Chemicalize site


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