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Search term: 381218-96-8 (Found by synonym)
ChemSpider 2D Image | [4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]boronic acid | C21H16BN3O2

[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]boronic acid

  • Molecular FormulaC21H16BN3O2
  • Average mass353.182 Da
  • Monoisotopic mass353.133545 Da
  • ChemSpider ID35519063

More details:

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

[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]boronic acid [ACD/IUPAC Name]
[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]borsäure [German] [ACD/IUPAC Name]
Acide [4-(2,2':6',2''-terpyridin-4'-yl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-(4-[2,2':6',2''-terpyridin]-4'-ylphenyl)- [ACD/Index Name]
(4-([2,2':6',2''-Terpyridin]-4'-yl)phenyl)boronic acid
[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]boronic acid
[4-[2,6-bis(2-pyridyl)-4-pyridyl]phenyl]boronic acid
{4-[6-(pyridin-2-yl)-[2,2'-bipyridin]-4-yl]phenyl}boronic acid
381218-96-8 [RN]
4'-(4-boronatophenyl)-[2,2':6',2'']terpyridine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 570.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 298.9±32.9 °C
Index of Refraction: 1.691
Molar Refractivity: 100.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 402.44
ACD/KOC (pH 5.5): 2483.77
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 324.16
ACD/KOC (pH 7.4): 2000.64
Polar Surface Area: 79 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 263.5±5.0 cm3

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