ChemSpider 2D Image | 4-[(2-Bromo-4-{(E)-[1-(4-isopropylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}phenoxy)methyl]benzoic acid | C28H23BrN2O6

4-[(2-Bromo-4-{(E)-[1-(4-isopropylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}phenoxy)methyl]benzoic acid

  • Molecular FormulaC28H23BrN2O6
  • Average mass563.396 Da
  • Monoisotopic mass562.073914 Da
  • ChemSpider ID22933502

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(2-Brom-4-{(E)-[1-(4-isopropylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenoxy)methyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(2-Bromo-4-{(E)-[1-(4-isopropylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}phenoxy)methyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(2-bromo-4-{(E)-[1-(4-isopropylphényl)-2,4,6-trioxotétrahydro-5(2H)-pyrimidinylidène]méthyl}phénoxy)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-bromo-4-[(E)-[tetrahydro-1-[4-(1-methylethyl)phenyl]-2,4,6-trioxo-5(2H)-pyrimidinylidene]methyl]phenoxy]methyl]- [ACD/Index Name]
4-[[2-BROMO-4-[(E)-[2,4,6-TRIOXO-1-(4-PROPAN-2-YLPHENYL)-1,3-DIAZINAN-5-YLIDENE]METHYL]PHENOXY]METHYL]BENZOIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 220.36
ACD/KOC (pH 5.5): 671.01
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 2.77
ACD/KOC (pH 7.4): 8.44
Polar Surface Area: 113 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 378.5±3.0 cm3

Click to predict properties on the Chemicalize site


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