Found 1889 results

Search term: MF = 'C_{12}H_{9}BrN_{2}O_{2}'
ChemSpider 2D Image | Ethyl 3-bromo-5-cyano-1H-indole-2-carboxylate | C12H9BrN2O2

Ethyl 3-bromo-5-cyano-1H-indole-2-carboxylate

  • Molecular FormulaC12H9BrN2O2
  • Average mass293.116 Da
  • Monoisotopic mass291.984741 Da
  • ChemSpider ID24609051

More details:

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

1245648-72-9 [RN]
1H-Indole-2-carboxylic acid, 3-bromo-5-cyano-, ethyl ester [ACD/Index Name]
3-Bromo-5-cyano-1H-indole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-bromo-5-cyano-1H-indole-2-carboxylate [ACD/IUPAC Name]
Ethyl-3-brom-5-cyan-1H-indol-2-carboxylat [German] [ACD/IUPAC Name]
[1245648-72-9] [RN]
3-BROMO-5-CYANO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
ETHYL-3-BROMO-5-CYANO-1H-INDOLE-2-CARBOXYLATE
MFCD12964187 [MDL number]

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

CCRIS 4693 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 460.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 232.5±27.3 °C
Index of Refraction: 1.662
Molar Refractivity: 66.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 236.37
ACD/KOC (pH 5.5): 1740.29
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.36
ACD/KOC (pH 7.4): 1740.24
Polar Surface Area: 66 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 179.0±5.0 cm3

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