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ChemSpider 2D Image | 5-Iodo-1-(4-methoxybenzyl)-1H-pyrazole | C11H11IN2O

5-Iodo-1-(4-methoxybenzyl)-1H-pyrazole

  • Molecular FormulaC11H11IN2O
  • Average mass314.122 Da
  • Monoisotopic mass313.991608 Da
  • ChemSpider ID34965977

More details:






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

1H-Pyrazole, 5-iodo-1-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
5-Iod-1-(4-methoxybenzyl)-1H-pyrazol [German] [ACD/IUPAC Name]
5-Iodo-1-(4-methoxybenzyl)-1H-pyrazole [ACD/IUPAC Name]
5-Iodo-1-(4-méthoxybenzyl)-1H-pyrazole [French] [ACD/IUPAC Name]
1686106-91-1 [RN]
5-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
AKOS024263375
MFCD30178476

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 405.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 199.1±24.6 °C
Index of Refraction: 1.641
Molar Refractivity: 69.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 130.50
ACD/KOC (pH 5.5): 1137.52
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 130.50
ACD/KOC (pH 7.4): 1137.54
Polar Surface Area: 27 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 191.4±7.0 cm3

Click to predict properties on the Chemicalize site






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