ChemSpider 2D Image | 5-[(N-Acetylvalyl)amino]-2-chlorobenzoic acid | C14H17ClN2O4

5-[(N-Acetylvalyl)amino]-2-chlorobenzoic acid

  • Molecular FormulaC14H17ClN2O4
  • Average mass312.749 Da
  • Monoisotopic mass312.087677 Da
  • ChemSpider ID38057319

More details:






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

5-[(N-Acetylvalyl)amino]-2-chlorbenzoesäure [German] [ACD/IUPAC Name]
5-[(N-Acetylvalyl)amino]-2-chlorobenzoic acid [ACD/IUPAC Name]
Acide 5-[(N-acétylvalyl)amino]-2-chlorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[2-(acetylamino)-3-methyl-1-oxobutyl]amino]-2-chloro- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 599.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 316.1±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 79.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 236.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement