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Search term: ODWDTOFDTZBVRJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-(4-Biphenylylacetyl)-1H-pyrazole-4-carbonitrile | C18H13N3O

1-(4-Biphenylylacetyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC18H13N3O
  • Average mass287.315 Da
  • Monoisotopic mass287.105865 Da
  • ChemSpider ID58110785

More details:

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

1-(4-Biphenylylacetyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
1-(4-Biphenylylacetyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
1-[2-(4-Biphénylyl)acétyl]-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carbonitrile, 1-(2-[1,1'-biphenyl]-4-ylacetyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 524.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.9±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 87.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 185.64
ACD/KOC (pH 5.5): 1463.92
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 185.64
ACD/KOC (pH 7.4): 1463.92
Polar Surface Area: 59 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 246.4±7.0 cm3

Click to predict properties on the Chemicalize site


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