ChemSpider 2D Image | 4-Iodo-1-[(2S)-2-pyrrolidinylmethyl]-1H-pyrazole | C8H12IN3

4-Iodo-1-[(2S)-2-pyrrolidinylmethyl]-1H-pyrazole

  • Molecular FormulaC8H12IN3
  • Average mass277.105 Da
  • Monoisotopic mass277.007568 Da
  • ChemSpider ID51981054

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole, 4-iodo-1-[(2S)-2-pyrrolidinylmethyl]- [ACD/Index Name]
4-Iod-1-[(2S)-2-pyrrolidinylmethyl]-1H-pyrazol [German] [ACD/IUPAC Name]
4-Iodo-1-[(2S)-2-pyrrolidinylmethyl]-1H-pyrazole [ACD/IUPAC Name]
4-Iodo-1-[(2S)-2-pyrrolidinylméthyl]-1H-pyrazole [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 343.7±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 161.6±19.6 °C
Index of Refraction: 1.735
Molar Refractivity: 57.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.27
Polar Surface Area: 30 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 142.1±7.0 cm3

Click to predict properties on the Chemicalize site


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