ChemSpider 2D Image | (4Z)-4-[(4-Bromophenyl)hydrazono]-2-(5-bromo-2-pyrimidinyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one | C14H10Br2N6O

(4Z)-4-[(4-Bromophenyl)hydrazono]-2-(5-bromo-2-pyrimidinyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC14H10Br2N6O
  • Average mass438.077 Da
  • Monoisotopic mass435.928284 Da
  • ChemSpider ID24739549

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-4-[(4-Bromophenyl)hydrazono]-2-(5-bromo-2-pyrimidinyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
(4Z)-4-[(4-Bromophényl)hydrazono]-2-(5-bromo-2-pyrimidinyl)-5-méthyl-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
(4Z)-4-[(4-Bromphenyl)hydrazono]-2-(5-brom-2-pyrimidinyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
1H-Pyrazole-4,5-dione, 1-(5-bromo-2-pyrimidinyl)-3-methyl-, 4-[2-(4-bromophenyl)hydrazone], (4Z)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 531.8±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.4±31.8 °C
Index of Refraction: 1.765
Molar Refractivity: 94.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 10.76
ACD/KOC (pH 5.5): 136.20
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.80
Polar Surface Area: 83 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 65.1±7.0 dyne/cm
Molar Volume: 228.3±7.0 cm3

Click to predict properties on the Chemicalize site


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