ChemSpider 2D Image | 2-[(2-Chloro-4-fluorobenzyl)amino]-2-oxoethyl 4-formylbenzoate | C17H13ClFNO4

2-[(2-Chloro-4-fluorobenzyl)amino]-2-oxoethyl 4-formylbenzoate

  • Molecular FormulaC17H13ClFNO4
  • Average mass349.741 Da
  • Monoisotopic mass349.051727 Da
  • ChemSpider ID31094675

More details:

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

2-[(2-Chlor-4-fluorbenzyl)amino]-2-oxoethyl-4-formylbenzoat [German] [ACD/IUPAC Name]
2-[(2-Chloro-4-fluorobenzyl)amino]-2-oxoethyl 4-formylbenzoate [ACD/IUPAC Name]
4-Formylbenzoate de 2-[(2-chloro-4-fluorobenzyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-formyl-, 2-[[(2-chloro-4-fluorophenyl)methyl]amino]-2-oxoethyl ester [ACD/Index Name]
{[(2-CHLORO-4-FLUOROPHENYL)METHYL]CARBAMOYL}METHYL 4-FORMYLBENZOATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 590.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 311.0±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.67
ACD/KOC (pH 5.5): 1036.93
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.66
ACD/KOC (pH 7.4): 1036.92
Polar Surface Area: 72 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 254.8±3.0 cm3

Click to predict properties on the Chemicalize site


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