ChemSpider 2D Image | Methyl 3-iodo-4-methyl-5-nitrobenzoate | C9H8INO4

Methyl 3-iodo-4-methyl-5-nitrobenzoate

  • Molecular FormulaC9H8INO4
  • Average mass321.069 Da
  • Monoisotopic mass320.949799 Da
  • ChemSpider ID26464383

More details:

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

3-Iodo-4-méthyl-5-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-iodo-4-methyl-5-nitro-, methyl ester [ACD/Index Name]
Methyl 3-iodo-4-methyl-5-nitrobenzoate [ACD/IUPAC Name]
Methyl-3-iod-4-methyl-5-nitrobenzoat [German] [ACD/IUPAC Name]
21323-99-9 [RN]
3-Iodo-4-methyl-5-nitromethyl benzoate
3-IODO-4-METHYL-5-NITROMETHYLBENZOATE

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

Density: 1.8±0.1 g/cm3
Boiling Point: 377.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 182.0±27.9 °C
Index of Refraction: 1.619
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.04
ACD/KOC (pH 5.5): 1128.39
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.04
ACD/KOC (pH 7.4): 1128.39
Polar Surface Area: 72 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 177.5±3.0 cm3

Click to predict properties on the Chemicalize site


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