ChemSpider 2D Image | (3-(2-Nitrophenoxy)phenyl)boronic acid | C12H10BNO5

(3-(2-Nitrophenoxy)phenyl)boronic acid

  • Molecular FormulaC12H10BNO5
  • Average mass259.022 Da
  • Monoisotopic mass259.065216 Da
  • ChemSpider ID26460946

More details:

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

(3-(2-Nitrophenoxy)phenyl)boronic acid
[3-(2-Nitrophenoxy)phenyl]boronic acid [ACD/IUPAC Name]
[3-(2-Nitrophenoxy)phenyl]borsäure [German] [ACD/IUPAC Name]
1072945-95-9 [RN]
Acide [3-(2-nitrophénoxy)phényl]boronique [French] [ACD/IUPAC Name]
B-[3-(2-Nitrophenoxy)phenyl]boronic acid
Boronic acid, B-[3-(2-nitrophenoxy)phenyl]- [ACD/Index Name]
[1072945-95-9] [RN]
3-(2-nitrophenoxy)phenylboronic acid
3-(2-Nitrophenoxy)phenylboronicacid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 449.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.7±3.0 kJ/mol
    Flash Point: 225.9±31.5 °C
    Index of Refraction: 1.630
    Molar Refractivity: 65.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.98
    ACD/LogD (pH 5.5): 2.59
    ACD/BCF (pH 5.5): 54.41
    ACD/KOC (pH 5.5): 607.25
    ACD/LogD (pH 7.4): 2.44
    ACD/BCF (pH 7.4): 38.37
    ACD/KOC (pH 7.4): 428.26
    Polar Surface Area: 96 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 63.1±5.0 dyne/cm
    Molar Volume: 184.9±5.0 cm3

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