Found 38 results

Search term: MF = 'C_{6}H_{5}NO_{5}S'
ChemSpider 2D Image | Methyl 3-hydroxy-5-nitro-2-thiophenecarboxylate | C6H5NO5S

Methyl 3-hydroxy-5-nitro-2-thiophenecarboxylate

  • Molecular FormulaC6H5NO5S
  • Average mass203.173 Da
  • Monoisotopic mass202.988846 Da
  • ChemSpider ID21374121

More details:

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

2-Thiophenecarboxylic acid, 3-hydroxy-5-nitro-, methyl ester [ACD/Index Name]
3-Hydroxy-5-nitro-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
89380-77-8 [RN]
Methyl 3-hydroxy-5-nitro-2-thiophenecarboxylate [ACD/IUPAC Name]
methyl 3-hydroxy-5-nitrothiophene-2-carboxylate
Methyl-3-hydroxy-5-nitro-2-thiophencarboxylat [German] [ACD/IUPAC Name]
[89380-77-8] [RN]
2-Methylbenzo[d]oxazol-7-amine
2-Thiophenecarboxylic acid, 3-hydroxy-5-nitro-, methyl ester (7CI,9CI)
3-Hydroxy-5-nitrothiophene-2-carboxylic acid methyl ester
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 329.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 59.5±3.0 kJ/mol
    Flash Point: 153.0±27.9 °C
    Index of Refraction: 1.623
    Molar Refractivity: 44.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.19
    ACD/LogD (pH 5.5): 2.24
    ACD/BCF (pH 5.5): 29.48
    ACD/KOC (pH 5.5): 391.71
    ACD/LogD (pH 7.4): 2.10
    ACD/BCF (pH 7.4): 21.52
    ACD/KOC (pH 7.4): 285.87
    Polar Surface Area: 121 Å2
    Polarizability: 17.8±0.5 10-24cm3
    Surface Tension: 68.6±3.0 dyne/cm
    Molar Volume: 127.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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