Found 80 results

Search term: MF = 'C_{4}H_{6}ClN_{3}O'
ChemSpider 2D Image | 5-(Chloromethyl)-2-methyl-1,2-dihydro-3H-1,2,4-triazol-3-one | C4H6ClN3O

5-(Chloromethyl)-2-methyl-1,2-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC4H6ClN3O
  • Average mass147.563 Da
  • Monoisotopic mass147.019943 Da
  • ChemSpider ID32043237

More details:

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

3H-1,2,4-Triazol-3-one, 5-(chloromethyl)-2,4-dihydro-2-methyl- [ACD/Index Name]
5-(Chlormethyl)-2-methyl-1,2-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-(Chloromethyl)-2-methyl-1,2-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-(Chlorométhyl)-2-méthyl-1,2-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
1432679-72-5 [RN]
3-(chloromethyl)-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
MFCD24369100

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 33.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.59
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.21
Polar Surface Area: 45 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 94.1±7.0 cm3

Click to predict properties on the Chemicalize site


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