ChemSpider 2D Image | MFCD07784415 | C18H15BrN2O2

MFCD07784415

  • Molecular FormulaC18H15BrN2O2
  • Average mass371.228 Da
  • Monoisotopic mass370.031677 Da
  • ChemSpider ID21169705

More details:

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

108446-80-6 [RN]
1H-Pyrazole-4-propanoic acid, 3-(4-bromophenyl)-1-phenyl- [ACD/Index Name]
3-(4-Bromophenyl)-1-phenylpyrazole-4-propionic acid
3-[3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl]propanoic acid [ACD/IUPAC Name]
3-[3-(4-Bromphenyl)-1-phenyl-1H-pyrazol-4-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[3-(4-bromophényl)-1-phényl-1H-pyrazol-4-yl]propanoïque [French] [ACD/IUPAC Name]
MFCD07784415
[108446-80-6] [RN]
3-(3-(4-BROMOPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)PROPANOIC ACID
3-(4-Bromphenyl)-1-phenylpyrazol-4-propions??ure
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

659045_ALDRICH [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 548.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 285.5±28.7 °C
Index of Refraction: 1.646
Molar Refractivity: 94.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 131.28
ACD/KOC (pH 5.5): 572.80
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 2.07
ACD/KOC (pH 7.4): 9.04
Polar Surface Area: 55 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 259.4±7.0 cm3

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