Found 252 results

Search term: MF = 'C_{6}H_{4}ClN_{3}O'
ChemSpider 2D Image | 2-Chloropyrrolo[2,1-f][1,2,4]triazin-4(1H)-one | C6H4ClN3O

2-Chloropyrrolo[2,1-f][1,2,4]triazin-4(1H)-one

  • Molecular FormulaC6H4ClN3O
  • Average mass169.568 Da
  • Monoisotopic mass169.004288 Da
  • ChemSpider ID35519857

More details:

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

1613751-69-1 [RN]
2-chloro-1H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
2-Chloropyrrolo[2,1-f][1,2,4]triazin-4(1H)-one [ACD/IUPAC Name]
2-Chloropyrrolo[2,1-f][1,2,4]triazin-4(1H)-one [French] [ACD/IUPAC Name]
2-Chlorpyrrolo[2,1-f][1,2,4]triazin-4(1H)-on [German] [ACD/IUPAC Name]
Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 2-chloro- [ACD/Index Name]
2-chloro-1h-pyrrolo[2,1-f][1,2,4]triazin-4-one
95%
MFCD29060177

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 337.6±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.1±3.0 kJ/mol
    Flash Point: 158.0±23.2 °C
    Index of Refraction: 1.759
    Molar Refractivity: 40.6±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.60
    ACD/LogD (pH 5.5): 0.69
    ACD/BCF (pH 5.5): 1.98
    ACD/KOC (pH 5.5): 56.81
    ACD/LogD (pH 7.4): 0.69
    ACD/BCF (pH 7.4): 1.98
    ACD/KOC (pH 7.4): 56.81
    Polar Surface Area: 46 Å2
    Polarizability: 16.1±0.5 10-24cm3
    Surface Tension: 68.8±7.0 dyne/cm
    Molar Volume: 98.8±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement