Found 210 results

Search term: MF = 'C_{29}H_{25}Cl_{2}N_{3}O_{4}'
ChemSpider 2D Image | 4-[4-(Allyloxy)-3-methoxyphenyl]-5-(2-chlorobenzyl)-3-(5-chloro-2-hydroxy-4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one | C29H25Cl2N3O4

4-[4-(Allyloxy)-3-methoxyphenyl]-5-(2-chlorobenzyl)-3-(5-chloro-2-hydroxy-4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

  • Molecular FormulaC29H25Cl2N3O4
  • Average mass550.432 Da
  • Monoisotopic mass549.122192 Da
  • ChemSpider ID11986223

More details:

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

4-[4-(Allyloxy)-3-methoxyphenyl]-5-(2-chlorbenzyl)-3-(5-chlor-2-hydroxy-4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-on [German] [ACD/IUPAC Name]
4-[4-(Allyloxy)-3-methoxyphenyl]-5-(2-chlorobenzyl)-3-(5-chloro-2-hydroxy-4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [ACD/IUPAC Name]
4-[4-(Allyloxy)-3-méthoxyphényl]-5-(2-chlorobenzyl)-3-(5-chloro-2-hydroxy-4-méthylphényl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-[(2-chlorophenyl)methyl]-4,5-dihydro-4-[3-methoxy-4-(2-propen-1-yloxy)phenyl]- [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: 742.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 402.9±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 147.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16301.01
ACD/KOC (pH 5.5): 35997.95
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 12918.36
ACD/KOC (pH 7.4): 28527.96
Polar Surface Area: 88 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 400.1±3.0 cm3

Click to predict properties on the Chemicalize site


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