ChemSpider 2D Image | 4-[(Z)-(2-Bromobenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C18H16BrN3O

4-[(Z)-(2-Bromobenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC18H16BrN3O
  • Average mass370.243 Da
  • Monoisotopic mass369.047668 Da
  • ChemSpider ID30655190

  • Double-bond stereo - Double-bond stereo

More details:

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

3H-Pyrazol-3-one, 4-[[(1Z)-(2-bromophenyl)methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-[(Z)-(2-Brombenzyliden)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-[(Z)-(2-Bromobenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-[(Z)-(2-Bromobenzylidène)amino]-1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 464.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 234.7±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 10.31
ACD/KOC (pH 5.5): 71.22
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 199.67
ACD/KOC (pH 7.4): 1379.24
Polar Surface Area: 36 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 271.2±7.0 cm3

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