ChemSpider 2D Image | Methyl 5,6-dibromo-1H-indole-3-carboxylate | C10H7Br2NO2

Methyl 5,6-dibromo-1H-indole-3-carboxylate

  • Molecular FormulaC10H7Br2NO2
  • Average mass332.976 Da
  • Monoisotopic mass330.884338 Da
  • ChemSpider ID26998069

More details:

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

1309792-72-0 [RN]
1H-Indole-3-carboxylic acid, 5,6-dibromo-, methyl ester [ACD/Index Name]
5,6-Dibromo-1H-indole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5,6-dibromo-1H-indole-3-carboxylate [ACD/IUPAC Name]
Methyl-5,6-dibrom-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
CS-16735
methyl 5,6-dibromoindole-3-carboxylate

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

Density: 1.9±0.1 g/cm3
Boiling Point: 439.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.6±27.3 °C
Index of Refraction: 1.689
Molar Refractivity: 65.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 623.88
ACD/KOC (pH 5.5): 3486.07
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 623.88
ACD/KOC (pH 7.4): 3486.07
Polar Surface Area: 42 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 172.1±3.0 cm3

Click to predict properties on the Chemicalize site


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