ChemSpider 2D Image | MFCD12974664 | C10H7NO5S

MFCD12974664

  • Molecular FormulaC10H7NO5S
  • Average mass253.231 Da
  • Monoisotopic mass253.004486 Da
  • ChemSpider ID15539546

More details:

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

26759-52-4 [RN]
3-Hydroxy-5-nitro-1-benzothiophène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-hydroxy-5-nitro-, methyl ester [ACD/Index Name]
Methyl 3-hydroxy-5-nitro-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
methyl 3-hydroxy-5-nitrobenzo[b]thiophene-2-carboxylate
Methyl-3-hydroxy-5-nitro-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC Name]
MFCD12974664
methyl 3-hydroxy-5-nitrobenzo[b]thiophene-3-carboxylate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 419.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 207.6±27.3 °C
Index of Refraction: 1.706
Molar Refractivity: 62.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 99.61
ACD/KOC (pH 5.5): 856.04
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 4.52
ACD/KOC (pH 7.4): 38.84
Polar Surface Area: 121 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 72.0±3.0 dyne/cm
Molar Volume: 161.2±3.0 cm3

Click to predict properties on the Chemicalize site


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