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Search term: IVELCXUDFCVTMA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(2-Nitrophenyl)-3-azetidinecarboxylic acid | C10H10N2O4

1-(2-Nitrophenyl)-3-azetidinecarboxylic acid

  • Molecular FormulaC10H10N2O4
  • Average mass222.197 Da
  • Monoisotopic mass222.064056 Da
  • ChemSpider ID26529980

More details:

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

1-(2-Nitrophenyl)-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-(2-Nitrophenyl)-3-azetidinecarboxylic acid [ACD/IUPAC Name]
1-(2-Nitrophenyl)azetidine-3-carboxylic acid
1-(2-NITRO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID
3-Azetidinecarboxylic acid, 1-(2-nitrophenyl)- [ACD/Index Name]
887595-94-0 [RN]
Acide 1-(2-nitrophényl)-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
[887595-94-0] [RN]
1-(2-Nitrophenyl)azetidine-3-carboxylicacid
1-cyclopropyl-2-nitro-benzene
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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: 1.5±0.1 g/cm3
    Boiling Point: 440.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.5±3.0 kJ/mol
    Flash Point: 220.1±27.3 °C
    Index of Refraction: 1.645
    Molar Refractivity: 54.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.77
    ACD/LogD (pH 5.5): -0.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.27
    ACD/LogD (pH 7.4): -1.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 86 Å2
    Polarizability: 21.6±0.5 10-24cm3
    Surface Tension: 72.0±3.0 dyne/cm
    Molar Volume: 150.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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