ChemSpider 2D Image | 4-Iodo-3-(isopropoxymethyl)-1-methyl-1H-pyrazole | C8H13IN2O

4-Iodo-3-(isopropoxymethyl)-1-methyl-1H-pyrazole

  • Molecular FormulaC8H13IN2O
  • Average mass280.106 Da
  • Monoisotopic mass280.007263 Da
  • ChemSpider ID53606877

More details:

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

1856020-60-4 [RN]
1H-Pyrazole, 4-iodo-1-methyl-3-[(1-methylethoxy)methyl]- [ACD/Index Name]
4-Iod-3-(isopropoxymethyl)-1-methyl-1H-pyrazol [German] [ACD/IUPAC Name]
4-Iodo-3-(isopropoxymethyl)-1-methyl-1H-pyrazole [ACD/IUPAC Name]
4-Iodo-3-(isopropoxyméthyl)-1-méthyl-1H-pyrazole [French] [ACD/IUPAC Name]
4-IODO-1-METHYL-3-[(PROPAN-2-YLOXY)METHYL]-1H-PYRAZOLE
4-IODO-3-(ISOPROPOXYMETHYL)-1-METHYLPYRAZOLE
MFCD29910808

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

Density: 1.6±0.1 g/cm3
Boiling Point: 295.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.4±3.0 kJ/mol
Flash Point: 132.6±23.2 °C
Index of Refraction: 1.591
Molar Refractivity: 57.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.41
ACD/KOC (pH 5.5): 608.17
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.41
ACD/KOC (pH 7.4): 608.18
Polar Surface Area: 27 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 38.1±7.0 dyne/cm
Molar Volume: 169.8±7.0 cm3

Click to predict properties on the Chemicalize site


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