ChemSpider 2D Image | Methyl 5-[(2-hydroxyethyl)sulfanyl]-2-nitrobenzoate | C10H11NO5S

Methyl 5-[(2-hydroxyethyl)sulfanyl]-2-nitrobenzoate

  • Molecular FormulaC10H11NO5S
  • Average mass257.263 Da
  • Monoisotopic mass257.035797 Da
  • ChemSpider ID34452229

More details:

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

5-[(2-Hydroxyéthyl)sulfanyl]-2-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-[(2-hydroxyethyl)thio]-2-nitro-, methyl ester [ACD/Index Name]
Methyl 5-[(2-hydroxyethyl)sulfanyl]-2-nitrobenzoate [ACD/IUPAC Name]
Methyl-5-[(2-hydroxyethyl)sulfanyl]-2-nitrobenzoat [German] [ACD/IUPAC Name]
1350456-27-7 [RN]
Methyl 5-((2-hydroxyethyl)thio)-2-nitrobenzoate
MFCD28142684

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

Density: 1.4±0.1 g/cm3
Boiling Point: 425.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 210.8±28.7 °C
Index of Refraction: 1.605
Molar Refractivity: 62.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.67
ACD/KOC (pH 5.5): 214.29
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.67
ACD/KOC (pH 7.4): 214.29
Polar Surface Area: 118 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 182.1±5.0 cm3

Click to predict properties on the Chemicalize site


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