ChemSpider 2D Image | Methyl 3-[(Z)-({[4-bromo-5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetyl}hydrazono)methyl]-5-nitrobenzoate | C18H16BrF2N5O5

Methyl 3-[(Z)-({[4-bromo-5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetyl}hydrazono)methyl]-5-nitrobenzoate

  • Molecular FormulaC18H16BrF2N5O5
  • Average mass500.251 Da
  • Monoisotopic mass499.030273 Da
  • ChemSpider ID101353242

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-1-acetic acid, 4-bromo-5-cyclopropyl-3-(difluoromethyl)-, 2-[(1Z)-[3-(methoxycarbonyl)-5-nitrophenyl]methylene]hydrazide [ACD/Index Name]
3-[(Z)-({2-[4-Bromo-5-cyclopropyl-3-(difluorométhyl)-1H-pyrazol-1-yl]acétyl}hydrazono)méthyl]-5-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[(Z)-({[4-bromo-5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetyl}hydrazono)methyl]-5-nitrobenzoate [ACD/IUPAC Name]
Methyl-3-[(Z)-({[4-brom-5-cyclopropyl-3-(difluormethyl)-1H-pyrazol-1-yl]acetyl}hydrazono)methyl]-5-nitrobenzoat [German] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 106.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 498.25
ACD/KOC (pH 5.5): 2967.80
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 498.17
ACD/KOC (pH 7.4): 2967.33
Polar Surface Area: 131 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 285.4±7.0 cm3

Click to predict properties on the Chemicalize site


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