Found 109 results

Search term: MF = 'C_{9}H_{9}ClN_{4}O_{4}'
ChemSpider 2D Image | 6-chloro-3-(ethoxycarbonyl)-1H,8aH-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid | C9H9ClN4O4

6-chloro-3-(ethoxycarbonyl)-1H,8aH-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid

  • Molecular FormulaC9H9ClN4O4
  • Average mass272.645 Da
  • Monoisotopic mass272.031219 Da
  • ChemSpider ID29363211

More details:

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

1,2,4-Triazolo[4,3-b]pyridazine-3,8-dicarboxylic acid, 6-chloro-1,8a-dihydro-, 3-ethyl ester [ACD/Index Name]
1447606-93-0 [RN]
6-Chlor-3-(ethoxycarbonyl)-1,8a-dihydro[1,2,4]triazolo[4,3-b]pyridazin-8-carbonsäure [German] [ACD/IUPAC Name]
6-Chloro-3-(ethoxycarbonyl)-1,8a-dihydro[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid [ACD/IUPAC Name]
6-chloro-3-(ethoxycarbonyl)-1H,8aH-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid
Acide 6-chloro-3-(éthoxycarbonyl)-1,8a-dihydro[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylique [French] [ACD/IUPAC Name]
6-CHLORO-3-(ETHOXYCARBONYL)-1,8A-DIHYDRO-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE-8-CARBOXYLIC ACID
MFCD25542391

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 401.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.6±6.0 kJ/mol
    Flash Point: 196.5±31.5 °C
    Index of Refraction: 1.724
    Molar Refractivity: 60.4±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.59
    ACD/LogD (pH 5.5): -1.40
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 23.9±0.5 10-24cm3
    Surface Tension: 71.8±7.0 dyne/cm
    Molar Volume: 152.2±7.0 cm3

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