ChemSpider 2D Image | 5-(chloromethyl)-4,5-dihydro-1,2,4-triazol-3-one | C3H4ClN3O

5-(chloromethyl)-4,5-dihydro-1,2,4-triazol-3-one

  • Molecular FormulaC3H4ClN3O
  • Average mass133.536 Da
  • Monoisotopic mass133.004288 Da
  • ChemSpider ID28551208

More details:

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

252742-72-6 [RN]
3H-1,2,4-Triazol-3-one, 5-(chloromethyl)-4,5-dihydro- [ACD/Index Name]
5-(Chlormethyl)-4,5-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-(chloromethyl)-4,5-dihydro-1,2,4-triazol-3-one
5-(Chloromethyl)-4,5-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-(Chlorométhyl)-4,5-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
3-Chloromethyl-1,2,4-triazolin-5-one

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.711
Molar Refractivity: 28.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.39
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.01
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.96
Polar Surface Area: 54 Å2
Polarizability: 11.3±0.5 10-24cm3
Surface Tension: 68.6±7.0 dyne/cm
Molar Volume: 72.7±7.0 cm3

Click to predict properties on the Chemicalize site


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