ChemSpider 2D Image | 4-[(2-Cyanobenzyl)oxy]-3-iodo-5-methoxybenzoic acid | C16H12INO4

4-[(2-Cyanobenzyl)oxy]-3-iodo-5-methoxybenzoic acid

  • Molecular FormulaC16H12INO4
  • Average mass409.175 Da
  • Monoisotopic mass408.981079 Da
  • ChemSpider ID34560388

More details:

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

4-[(2-Cyanbenzyl)oxy]-3-iod-5-methoxybenzoesäure [German] [ACD/IUPAC Name]
4-[(2-Cyanobenzyl)oxy]-3-iodo-5-methoxybenzoic acid [ACD/IUPAC Name]
Acide 4-[(2-cyanobenzyl)oxy]-3-iodo-5-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2-cyanophenyl)methoxy]-3-iodo-5-methoxy- [ACD/Index Name]
1992986-20-5 [RN]
4-(2-Cyano-benzyloxy)-3-iodo-5-methoxy-benzoic acid
4-[(2-CYANOPHENYL)METHOXY]-3-IODO-5-METHOXYBENZOIC ACID
MFCD29036201
VS-13075
WYNRQUCGLHFFJJ-UHFFFAOYSA-N

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 540.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 86.1±3.0 kJ/mol
    Flash Point: 280.8±30.1 °C
    Index of Refraction: 1.673
    Molar Refractivity: 88.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.19
    ACD/LogD (pH 5.5): 2.31
    ACD/BCF (pH 5.5): 14.07
    ACD/KOC (pH 5.5): 81.85
    ACD/LogD (pH 7.4): 0.91
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.26
    Polar Surface Area: 80 Å2
    Polarizability: 34.9±0.5 10-24cm3
    Surface Tension: 70.1±5.0 dyne/cm
    Molar Volume: 234.5±5.0 cm3

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