ChemSpider 2D Image | {3-Chloro-4-[5-methyl-4-({2-[2-nitro-4-(trifluoromethyl)phenoxy]ethyl}carbamoyl)-1,2-oxazol-3-yl]phenyl}acetic acid | C22H17ClF3N3O7

{3-Chloro-4-[5-methyl-4-({2-[2-nitro-4-(trifluoromethyl)phenoxy]ethyl}carbamoyl)-1,2-oxazol-3-yl]phenyl}acetic acid

  • Molecular FormulaC22H17ClF3N3O7
  • Average mass527.834 Da
  • Monoisotopic mass527.070740 Da
  • ChemSpider ID23274396

More details:

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

{3-Chlor-4-[5-methyl-4-({2-[2-nitro-4-(trifluormethyl)phenoxy]ethyl}carbamoyl)-1,2-oxazol-3-yl]phenyl}essigsäure [German] [ACD/IUPAC Name]
{3-Chloro-4-[5-methyl-4-({2-[2-nitro-4-(trifluoromethyl)phenoxy]ethyl}carbamoyl)-1,2-oxazol-3-yl]phenyl}acetic acid [ACD/IUPAC Name]
Acide {3-chloro-4-[5-méthyl-4-({2-[2-nitro-4-(trifluorométhyl)phénoxy]éthyl}carbamoyl)-1,2-oxazol-3-yl]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-chloro-4-[5-methyl-4-[[[2-[2-nitro-4-(trifluoromethyl)phenoxy]ethyl]amino]carbonyl]-3-isoxazolyl]- [ACD/Index Name]
2-(3-chloro-4-(5-methyl-4-((2-(2-nitro-4-(trifluoromethyl)phenoxy)ethyl)carbamoyl)isoxazol-3-yl)phenyl)acetic acid
CHEMBL214295

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

Density: 1.5±0.1 g/cm3
Boiling Point: 681.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 366.2±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 9.61
ACD/KOC (pH 5.5): 57.83
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 147 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 357.0±3.0 cm3

Click to predict properties on the Chemicalize site


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