ChemSpider 2D Image | 3-(4-Bromophenyl)-1-(carboxymethyl)-5-(3-chloro-4-methylphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C22H18BrClN2O6

3-(4-Bromophenyl)-1-(carboxymethyl)-5-(3-chloro-4-methylphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

  • Molecular FormulaC22H18BrClN2O6
  • Average mass521.745 Da
  • Monoisotopic mass520.003662 Da
  • ChemSpider ID2960260

More details:

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

3-(4-Bromophenyl)-1-(carboxymethyl)-5-(3-chloro-4-methylphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
3-(4-Bromphenyl)-1-(carboxymethyl)-5-(3-chlor-4-methylphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
Acide 3-(4-bromophényl)-1-(carboxyméthyl)-5-(3-chloro-4-méthylphényl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-1-acetic acid, 3-(4-bromophenyl)-1-carboxy-5-(3-chloro-4-methylphenyl)octahydro-4,6-dioxo- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 828.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 454.6±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 116.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.30
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 318.7±3.0 cm3

Click to predict properties on the Chemicalize site


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