ChemSpider 2D Image | BALSALAZIDE-D4 | C17H11D4N3O6

BALSALAZIDE-D4

  • Molecular FormulaC17H11D4N3O6
  • Average mass361.342 Da
  • Monoisotopic mass361.121185 Da
  • ChemSpider ID79413313

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

5-[(E)-{4-[(2-Carboxyethyl)carbamoyl](2H4)phenyl}diazenyl]-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
5-[(E)-{4-[(2-Carboxyethyl)carbamoyl](2H4)phenyl}diazenyl]-2-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 5-[(E)-{4-[(2-carboxyéthyl)carbamoyl](2H4)phényl}diazényl]-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
BALSALAZIDE-D4
Benzoic acid, 5-[(E)-2-[4-[[(2-carboxyethyl)amino]carbonyl]phenyl-2,3,5,6-d4]diazenyl]-2-hydroxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 729.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 395.0±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 90.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 62.5±7.0 dyne/cm
Molar Volume: 247.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement