ChemSpider 2D Image | {5-Chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid | C17H12ClN3O6

{5-Chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid

  • Molecular FormulaC17H12ClN3O6
  • Average mass389.747 Da
  • Monoisotopic mass389.041473 Da
  • ChemSpider ID26325555

More details:






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

{5-Chlor-2-[(4-cyan-3-nitrobenzyl)carbamoyl]phenoxy}essigsäure [German] [ACD/IUPAC Name]
{5-Chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[5-chloro-2-[[[(4-cyano-3-nitrophenyl)methyl]amino]carbonyl]phenoxy]- [ACD/Index Name]
Acide {5-chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phénoxy}acétique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 686.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 369.2±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 79.7±5.0 dyne/cm
Molar Volume: 252.2±5.0 cm3

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