ChemSpider 2D Image | Methyl 2-amino-5-iodo-4-isopropylbenzoate | C11H14INO2

Methyl 2-amino-5-iodo-4-isopropylbenzoate

  • Molecular FormulaC11H14INO2
  • Average mass319.139 Da
  • Monoisotopic mass319.006927 Da
  • ChemSpider ID21514076

More details:

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

2-Amino-5-iodo-4-isopropylbenzoate de méthyle [French] [ACD/IUPAC Name]
2-Amino-5-iodo-4-isopropyl-benzoic ; acid methyl ester
Benzoic acid, 2-amino-5-iodo-4-(1-methylethyl)-, methyl ester [ACD/Index Name]
Methyl 2-amino-5-iodo-4-isopropylbenzoate [ACD/IUPAC Name]
Methyl-2-amino-5-iod-4-isopropylbenzoat [German] [ACD/IUPAC Name]
2-Amino-5-iodo-4-isopropyl-benzoic
2-amino-5-iodo-4-isopropylbenzoic acid methyl ester
2-amino-5-iodo-4-isopropyl-benzoic acid methyl ester
2-Amino-5-iodo-4-isopropyl-benzoic; acid methyl ester
2-Amino-5-iodo-4-isopropyl-benzoicacid methyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 373.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.1±3.0 kJ/mol
    Flash Point: 179.6±27.9 °C
    Index of Refraction: 1.604
    Molar Refractivity: 69.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.86
    ACD/LogD (pH 5.5): 3.87
    ACD/BCF (pH 5.5): 518.03
    ACD/KOC (pH 5.5): 3051.40
    ACD/LogD (pH 7.4): 3.87
    ACD/BCF (pH 7.4): 518.21
    ACD/KOC (pH 7.4): 3052.41
    Polar Surface Area: 52 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 47.1±3.0 dyne/cm
    Molar Volume: 201.8±3.0 cm3

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