ChemSpider 2D Image | (2-Isopropyl-2,3-dihydro-1H-isoindol-5-yl)boronic acid | C11H16BNO2

(2-Isopropyl-2,3-dihydro-1H-isoindol-5-yl)boronic acid

  • Molecular FormulaC11H16BNO2
  • Average mass205.061 Da
  • Monoisotopic mass205.127411 Da
  • ChemSpider ID23078490

More details:

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

(2-Isopropyl-2,3-dihydro-1H-isoindol-5-yl)boronic acid [ACD/IUPAC Name]
(2-Isopropyl-2,3-dihydro-1H-isoindol-5-yl)borsäure [German] [ACD/IUPAC Name]
acide (2-isopropyl-2,3-dihydro-1H-isoindol-5-yl)boronique
Acide (2-isopropyl-2,3-dihydro-1H-isoindol-5-yl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2,3-dihydro-2-(1-methylethyl)-1H-isoindol-5-yl]- [ACD/Index Name]
1240664-86-1 [RN]
2-isopropylisoindolin-5-ylboronic acid
MFCD13248576 [MDL number]
η-R1056

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

Density: 1.2±0.1 g/cm3
Boiling Point: 339.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.5±3.0 kJ/mol
Flash Point: 158.9±30.7 °C
Index of Refraction: 1.572
Molar Refractivity: 58.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.41
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 6.10
ACD/KOC (pH 7.4): 97.06
Polar Surface Area: 44 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 176.9±5.0 cm3

Click to predict properties on the Chemicalize site


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