ChemSpider 2D Image | 3-(3-BENZYLOXYPHENYL)-5-NITROBENZOIC ACID | C20H15NO5

3-(3-BENZYLOXYPHENYL)-5-NITROBENZOIC ACID

  • Molecular FormulaC20H15NO5
  • Average mass349.337 Da
  • Monoisotopic mass349.095032 Da
  • ChemSpider ID26555260

More details:

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

[1,1'-Biphenyl]-3-carboxylic acid, 5-nitro-3'-(phenylmethoxy)- [ACD/Index Name]
1261912-55-3 [RN]
3-(3-BENZYLOXYPHENYL)-5-NITROBENZOIC ACID
3'-(Benzyloxy)-5-nitro-3-biphenylcarbonsäure [German] [ACD/IUPAC Name]
3'-(Benzyloxy)-5-nitro-3-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 3'-(benzyloxy)-5-nitro-3-biphénylcarboxylique [French] [ACD/IUPAC Name]
[1261912-55-3] [RN]
3-(3-Benzyloxyphenyl)-5-nitrobenzoicacid
3'-(benzyloxy)-5-nitro-[1,1'-biphenyl]-3-carboxylic acid
3'-(Benzyloxy)-5-nitro[1,1'-biphenyl]-3-carboxylic 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: 563.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.1±3.0 kJ/mol
    Flash Point: 294.8±30.1 °C
    Index of Refraction: 1.644
    Molar Refractivity: 95.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.99
    ACD/LogD (pH 5.5): 2.97
    ACD/BCF (pH 5.5): 33.97
    ACD/KOC (pH 5.5): 111.56
    ACD/LogD (pH 7.4): 1.96
    ACD/BCF (pH 7.4): 3.26
    ACD/KOC (pH 7.4): 10.71
    Polar Surface Area: 92 Å2
    Polarizability: 37.9±0.5 10-24cm3
    Surface Tension: 57.7±3.0 dyne/cm
    Molar Volume: 263.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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