ChemSpider 2D Image | {2-[(4-Bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | C16H11BrClF2NO4

{2-[(4-Bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid

  • Molecular FormulaC16H11BrClF2NO4
  • Average mass434.617 Da
  • Monoisotopic mass432.952789 Da
  • ChemSpider ID34955224

More details:






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

{2-[(4-Brom-2,6-difluorbenzyl)carbamoyl]-5-chlorphenoxy}essigsäure [German] [ACD/IUPAC Name]
{2-[(4-Bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[2-[[[(4-bromo-2,6-difluorophenyl)methyl]amino]carbonyl]-5-chlorophenoxy]- [ACD/Index Name]
Acide {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophénoxy}acétique [French] [ACD/IUPAC Name]
4O8
MK408

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 564.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 295.3±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 89.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 6.68
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 262.2±3.0 cm3

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