ChemSpider 2D Image | 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4,5-dichlorobenzoic acid | C18H17Cl2NO3

2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4,5-dichlorobenzoic acid

  • Molecular FormulaC18H17Cl2NO3
  • Average mass366.238 Da
  • Monoisotopic mass365.058563 Da
  • ChemSpider ID26394545

More details:

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

2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4,5-dichlorobenzoic acid
4,5-Dichlor-2-{[4-(2-methyl-2-propanyl)benzoyl]amino}benzoesäure [German] [ACD/IUPAC Name]
4,5-Dichloro-2-{[4-(2-methyl-2-propanyl)benzoyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 4,5-dichloro-2-{[4-(2-méthyl-2-propanyl)benzoyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4,5-dichloro-2-[[4-(1,1-dimethylethyl)benzoyl]amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 435.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 217.0±28.7 °C
Index of Refraction: 1.625
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 176.98
ACD/KOC (pH 5.5): 282.63
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 38.00
ACD/KOC (pH 7.4): 60.68
Polar Surface Area: 66 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 271.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement