ChemSpider 2D Image | 4-(alpha-Aspartylamino)-3,5-dichlorobenzoic acid | C11H10Cl2N2O5

4-(α-Aspartylamino)-3,5-dichlorobenzoic acid

  • Molecular FormulaC11H10Cl2N2O5
  • Average mass321.113 Da
  • Monoisotopic mass319.996674 Da
  • ChemSpider ID40739858

More details:

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

4-(α-Asparagylamino)-3,5-dichlorbenzoesäure [German] [ACD/IUPAC Name]
4-(α-Aspartylamino)-3,5-dichlorobenzoic acid [ACD/IUPAC Name]
Acide 4-(α-aspartylamino)-3,5-dichlorobenzoïque [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 598.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 315.7±30.1 °C
Index of Refraction: 1.674
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.42
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 81.4±3.0 dyne/cm
Molar Volume: 190.6±3.0 cm3

Click to predict properties on the Chemicalize site


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