ChemSpider 2D Image | tert-butyl 5-(bromomethyl)-1H-benzo[d]imidazole-1-carboxylate | C13H15BrN2O2

tert-butyl 5-(bromomethyl)-1H-benzo[d]imidazole-1-carboxylate

  • Molecular FormulaC13H15BrN2O2
  • Average mass311.174 Da
  • Monoisotopic mass310.031677 Da
  • ChemSpider ID28425960

More details:

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

1037207-08-1 [RN]
1H-Benzimidazole-1-carboxylic acid, 5-(bromomethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-(bromomethyl)-1H-benzimidazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-(brommethyl)-1H-benzimidazol-1-carboxylat [German] [ACD/IUPAC Name]
5-(Bromométhyl)-1H-benzimidazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 5-(bromomethyl)-1H-benzo[d]imidazole-1-carboxylate
[1037207-08-1] [RN]
4,7-dihydro-1-Methyl-4,7-Ethano-2H-isoindole
MFCD13182495 [MDL number]
tert-Butyl 5-(bromomethyl)-1H-benzimidazole-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 402.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 197.0±26.5 °C
Index of Refraction: 1.591
Molar Refractivity: 74.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.13
ACD/KOC (pH 5.5): 1281.26
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.22
ACD/KOC (pH 7.4): 1281.99
Polar Surface Area: 44 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 219.5±7.0 cm3

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