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Search term: FAPWESYGTXHTQV-JOCHJYFZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-[(4R)-4-(4-Nitrophenyl)-6-oxo-3-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid | C24H16N4O5

4-[(4R)-4-(4-Nitrophenyl)-6-oxo-3-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid

  • Molecular FormulaC24H16N4O5
  • Average mass440.408 Da
  • Monoisotopic mass440.112061 Da
  • ChemSpider ID35033401

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(4R)-4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid
4-[(4R)-4-(4-Nitrophenyl)-6-oxo-3-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoesäure [German] [ACD/IUPAC Name]
4-[(4R)-4-(4-Nitrophenyl)-6-oxo-3-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(4R)-4-(4-nitrophényl)-6-oxo-3-phényl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(4R)-4,6-dihydro-4-(4-nitrophenyl)-6-oxo-3-phenylpyrrolo[3,4-c]pyrazol-5(1H)-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 763.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 415.4±32.9 °C
Index of Refraction: 1.722
Molar Refractivity: 117.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 128.12
ACD/KOC (pH 5.5): 506.02
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 3.19
ACD/KOC (pH 7.4): 12.60
Polar Surface Area: 132 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 77.1±3.0 dyne/cm
Molar Volume: 295.7±3.0 cm3

Click to predict properties on the Chemicalize site


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