ChemSpider 2D Image | Methyl 1-{2-[(2Z)-2-(5-bromo-2-hydroxy-3,4-dimethoxybenzylidene)hydrazino]-2-oxoethyl}-1H-pyrazole-4-carboxylate | C16H17BrN4O6

Methyl 1-{2-[(2Z)-2-(5-bromo-2-hydroxy-3,4-dimethoxybenzylidene)hydrazino]-2-oxoethyl}-1H-pyrazole-4-carboxylate

  • Molecular FormulaC16H17BrN4O6
  • Average mass441.233 Da
  • Monoisotopic mass440.033142 Da
  • ChemSpider ID100825805

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{2-[(2Z)-2-(5-Bromo-2-hydroxy-3,4-diméthoxybenzylidène)hydrazino]-2-oxoéthyl}-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 4-(methoxycarbonyl)-, 2-[(1Z)-(5-bromo-2-hydroxy-3,4-dimethoxyphenyl)methylene]hydrazide [ACD/Index Name]
Methyl 1-{2-[(2Z)-2-(5-bromo-2-hydroxy-3,4-dimethoxybenzylidene)hydrazino]-2-oxoethyl}-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-{2-[(2Z)-2-(5-brom-2-hydroxy-3,4-dimethoxybenzyliden)hydrazino]-2-oxoethyl}-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 98.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.36
ACD/KOC (pH 5.5): 479.27
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 14.34
ACD/KOC (pH 7.4): 174.59
Polar Surface Area: 124 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 279.3±7.0 cm3

Click to predict properties on the Chemicalize site


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