Found 47 results

Search term: MF = 'C_{23}H_{31}BrN_{2}O_{6}'
ChemSpider 2D Image | 3-(3-Bromo-4,5-dimethoxyphenyl)-5-butyl-1-sec-butyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C23H31BrN2O6

3-(3-Bromo-4,5-dimethoxyphenyl)-5-butyl-1-sec-butyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

  • Molecular FormulaC23H31BrN2O6
  • Average mass511.406 Da
  • Monoisotopic mass510.136536 Da
  • ChemSpider ID3003050

More details:

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

3-(3-Brom-4,5-dimethoxyphenyl)-5-butyl-1-sec-butyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
3-(3-Bromo-4,5-dimethoxyphenyl)-5-butyl-1-sec-butyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
Acide 3-(3-bromo-4,5-diméthoxyphényl)-5-butyl-1-sec-butyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 3-(3-bromo-4,5-dimethoxyphenyl)-5-butyloctahydro-1-(1-methylpropyl)-4,6-dioxo- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 625.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 331.8±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 121.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 3.12
ACD/KOC (pH 5.5): 15.42
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 2.36
ACD/KOC (pH 7.4): 11.64
Polar Surface Area: 105 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 381.3±3.0 cm3

Click to predict properties on the Chemicalize site


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