ChemSpider 2D Image | 1-[(2S)-2-(4-Bromophenyl)-2-phenylethyl]-1H-imidazole | C17H15BrN2

1-[(2S)-2-(4-Bromophenyl)-2-phenylethyl]-1H-imidazole

  • Molecular FormulaC17H15BrN2
  • Average mass327.218 Da
  • Monoisotopic mass326.041840 Da
  • ChemSpider ID34986138

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(2S)-2-(4-Bromophenyl)-2-phenylethyl]-1H-imidazole [ACD/IUPAC Name]
1-[(2S)-2-(4-Bromophényl)-2-phényléthyl]-1H-imidazole [French] [ACD/IUPAC Name]
1-[(2S)-2-(4-Bromphenyl)-2-phenylethyl]-1H-imidazol [German] [ACD/IUPAC Name]
1H-Imidazole, 1-[(2S)-2-(4-bromophenyl)-2-phenylethyl]- [ACD/Index Name]
108894-40-2 [RN]
brolaconazole [INN]
BROLACONAZOLE, (S)-
UNII-6CHG505391

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

WJX6I92RLN [DBID]
UNII:WJX6I92RLN [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 501.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 256.8±28.7 °C
Index of Refraction: 1.624
Molar Refractivity: 87.8±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 58.58
ACD/KOC (pH 5.5): 279.34
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 882.77
ACD/KOC (pH 7.4): 4209.48
Polar Surface Area: 18 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 248.8±7.0 cm3

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