ChemSpider 2D Image | (2-Methoxy-4-nitrophenyl)boronic acid | C7H8BNO5

(2-Methoxy-4-nitrophenyl)boronic acid

  • Molecular FormulaC7H8BNO5
  • Average mass196.953 Da
  • Monoisotopic mass197.049561 Da
  • ChemSpider ID25568677

More details:

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

(2-Methoxy-4-nitrophenyl)boronic acid [ACD/IUPAC Name]
(2-Methoxy-4-nitrophenyl)borsäure [German] [ACD/IUPAC Name]
949892-13-1 [RN]
Acide (2-méthoxy-4-nitrophényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-(2-methoxy-4-nitrophenyl)- [ACD/Index Name]
2-methoxy-4-nitrophenylboronic acid
B-(2-Methoxy-4-nitrophenyl)boronic acid
MFCD16295410

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 430.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.3±3.0 kJ/mol
    Flash Point: 214.0±31.5 °C
    Index of Refraction: 1.559
    Molar Refractivity: 45.7±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.54
    ACD/LogD (pH 5.5): 1.35
    ACD/BCF (pH 5.5): 6.20
    ACD/KOC (pH 5.5): 127.43
    ACD/LogD (pH 7.4): 0.86
    ACD/BCF (pH 7.4): 2.02
    ACD/KOC (pH 7.4): 41.54
    Polar Surface Area: 96 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 56.2±5.0 dyne/cm
    Molar Volume: 141.5±5.0 cm3

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