ChemSpider 2D Image | [1-(3,5-Dichlorobenzyl)-3-pyrrolidinyl]boronic acid | C11H14BCl2NO2

[1-(3,5-Dichlorobenzyl)-3-pyrrolidinyl]boronic acid

  • Molecular FormulaC11H14BCl2NO2
  • Average mass273.951 Da
  • Monoisotopic mass273.049469 Da
  • ChemSpider ID72957412

More details:

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

[1-(3,5-Dichlorbenzyl)-3-pyrrolidinyl]borsäure [German] [ACD/IUPAC Name]
[1-(3,5-Dichlorobenzyl)-3-pyrrolidinyl]boronic acid [ACD/IUPAC Name]
Acide [1-(3,5-dichlorobenzyl)-3-pyrrolidinyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[1-[(3,5-dichlorophenyl)methyl]-3-pyrrolidinyl]- [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: 410.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 202.0±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.35
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 5.46
ACD/KOC (pH 7.4): 57.01
Polar Surface Area: 44 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 199.8±5.0 cm3

Click to predict properties on the Chemicalize site


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