ChemSpider 2D Image | (2-Butoxy-5-chloro-3-pyridinyl)boronic acid | C9H13BClNO3

(2-Butoxy-5-chloro-3-pyridinyl)boronic acid

  • Molecular FormulaC9H13BClNO3
  • Average mass229.468 Da
  • Monoisotopic mass229.067703 Da
  • ChemSpider ID26521156

More details:

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

(2-Butoxy-5-chloro-3-pyridinyl)boronic acid [ACD/IUPAC Name]
(2-Butoxy-5-chloropyridin-3-yl)boronic acid
1217501-44-4 [RN]
B-(2-Butoxy-5-chloro-3-pyridinyl)boronic acid
Boronic acid, B-(2-butoxy-5-chloro-3-pyridinyl)- [ACD/Index Name]
(2-Butoxy-5-chlor-3-pyridinyl)borsäure [German] [ACD/IUPAC Name]
(2-Butoxy-5-chloropyridin-3-yl)boronicacid
[1217501-44-4] [RN]
1218789-30-0 [RN]
2-BUTOXY-5-CHLOROPYRIDIN-3-YLBORONIC ACID
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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: 380.8±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.4±3.0 kJ/mol
    Flash Point: 184.1±30.7 °C
    Index of Refraction: 1.527
    Molar Refractivity: 56.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.22
    ACD/LogD (pH 5.5): 1.90
    ACD/BCF (pH 5.5): 12.19
    ACD/KOC (pH 5.5): 148.35
    ACD/LogD (pH 7.4): 0.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.70
    Polar Surface Area: 63 Å2
    Polarizability: 22.3±0.5 10-24cm3
    Surface Tension: 48.8±5.0 dyne/cm
    Molar Volume: 182.8±5.0 cm3

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