Found 31 results

Search term: MF = 'C_{20}H_{21}BN_{2}O_{6}'
ChemSpider 2D Image | (3-{[4-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]carbonyl}phenyl)boronic acid | C20H21BN2O6

(3-{[4-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]carbonyl}phenyl)boronic acid

  • Molecular FormulaC20H21BN2O6
  • Average mass396.202 Da
  • Monoisotopic mass396.149261 Da
  • ChemSpider ID72877541

More details:

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

(3-{[4-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]carbonyl}phenyl)boronic acid [ACD/IUPAC Name]
(3-{[4-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]carbonyl}phenyl)borsäure [German] [ACD/IUPAC Name]
Acide (3-{[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-pipérazinyl]carbonyl}phényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[[4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-1-piperazinyl]carbonyl]phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 694.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.0±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 102.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.05
ACD/KOC (pH 5.5): 77.17
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.24
ACD/KOC (pH 7.4): 56.73
Polar Surface Area: 100 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 278.5±5.0 cm3

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