Found 355 results

Search term: MF = 'C_{12}H_{11}BrClNO_{2}'
ChemSpider 2D Image | 5-Bromo-4-chloro-1H-indole-3-butanoic acid | C12H11BrClNO2

5-Bromo-4-chloro-1H-indole-3-butanoic acid

  • Molecular FormulaC12H11BrClNO2
  • Average mass316.578 Da
  • Monoisotopic mass314.966156 Da
  • ChemSpider ID21589786

More details:

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

1H-Indole-3-butanoic acid, 5-bromo-4-chloro- [ACD/Index Name]
4-(5-Brom-4-chlor-1H-indol-3-yl)butansäure [German] [ACD/IUPAC Name]
4-(5-Bromo-4-chloro-1H-indol-3-yl)butanoic acid [ACD/IUPAC Name]
5-Bromo-4-chloro-1H-indole-3-butanoic acid
929976-64-7 [RN]
Acide 4-(5-bromo-4-chloro-1H-indol-3-yl)butanoïque [French] [ACD/IUPAC Name]
4-(5-bromo-4-chloroindol-3-yl)butanoic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 507.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 260.7±28.7 °C
Index of Refraction: 1.674
Molar Refractivity: 71.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 69.23
ACD/KOC (pH 5.5): 417.11
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 6.63
Polar Surface Area: 53 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 190.5±3.0 cm3

Click to predict properties on the Chemicalize site


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