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Search term: XYJULHJUPZIRQX-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-(3-Chloro-4-fluorobenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one | C10H9ClFN3O

2-(3-Chloro-4-fluorobenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC10H9ClFN3O
  • Average mass241.649 Da
  • Monoisotopic mass241.041824 Da
  • ChemSpider ID35191626

More details:

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

2-(3-Chlor-4-fluorbenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
2-(3-Chloro-4-fluorobenzyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
2-(3-Chloro-4-fluorobenzyl)-4-méthyl-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
3H-1,2,4-Triazol-3-one, 2-[(3-chloro-4-fluorophenyl)methyl]-2,4-dihydro-4-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 325.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 150.7±30.7 °C
Index of Refraction: 1.612
Molar Refractivity: 59.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.87
ACD/KOC (pH 5.5): 178.36
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.03
ACD/KOC (pH 7.4): 181.29
Polar Surface Area: 36 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 171.5±7.0 cm3

Click to predict properties on the Chemicalize site


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