ChemSpider 2D Image | 3-(3-Bromo-5-chlorophenyl)-2-propynoic acid | C9H4BrClO2

3-(3-Bromo-5-chlorophenyl)-2-propynoic acid

  • Molecular FormulaC9H4BrClO2
  • Average mass259.484 Da
  • Monoisotopic mass257.908325 Da
  • ChemSpider ID56456576

More details:

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

2-Propynoic acid, 3-(3-bromo-5-chlorophenyl)- [ACD/Index Name]
3-(3-Brom-5-chlorphenyl)-2-propinsäure [German] [ACD/IUPAC Name]
3-(3-Bromo-5-chlorophenyl)-2-propynoic acid [ACD/IUPAC Name]
Acide 3-(3-bromo-5-chlorophényl)-2-propynoïque [French] [ACD/IUPAC Name]
1702606-04-9 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 397.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 194.2±27.9 °C
Index of Refraction: 1.670
Molar Refractivity: 52.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 141.5±5.0 cm3

Click to predict properties on the Chemicalize site


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