ChemSpider 2D Image | tert-Butyl 2-(iodomethyl)-1H-benzo[d]imidazole-1-carboxylate | C13H15IN2O2

tert-Butyl 2-(iodomethyl)-1H-benzo[d]imidazole-1-carboxylate

  • Molecular FormulaC13H15IN2O2
  • Average mass358.175 Da
  • Monoisotopic mass358.017822 Da
  • ChemSpider ID32058453

More details:

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

1058225-52-7 [RN]
1H-Benzimidazole-1-carboxylic acid, 2-(iodomethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-(Iodométhyl)-1H-benzimidazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(iodomethyl)-1H-benzimidazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(iodmethyl)-1H-benzimidazol-1-carboxylat [German] [ACD/IUPAC Name]
tert-Butyl 2-(iodomethyl)-1H-benzo[d]imidazole-1-carboxylate
MFCD28099566

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

Density: 1.6±0.1 g/cm3
Boiling Point: 408.5±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 200.8±29.3 °C
Index of Refraction: 1.624
Molar Refractivity: 79.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 185.15
ACD/KOC (pH 5.5): 1461.06
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 185.22
ACD/KOC (pH 7.4): 1461.56
Polar Surface Area: 44 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 224.6±7.0 cm3

Click to predict properties on the Chemicalize site


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