ChemSpider 2D Image | 5-Amino-4-oxo-3-[4-(trifluoromethyl)phenyl]-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylic acid | C14H8F3N3O3S

5-Amino-4-oxo-3-[4-(trifluoromethyl)phenyl]-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylic acid

  • Molecular FormulaC14H8F3N3O3S
  • Average mass355.292 Da
  • Monoisotopic mass355.023834 Da
  • ChemSpider ID28516433

More details:

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

5-Amino-4-oxo-3-[4-(trifluormethyl)phenyl]-3,4-dihydrothieno[3,4-d]pyridazin-1-carbonsäure [German] [ACD/IUPAC Name]
5-Amino-4-oxo-3-[4-(trifluoromethyl)phenyl]-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylic acid [ACD/IUPAC Name]
Acide 5-amino-4-oxo-3-[4-(trifluorométhyl)phényl]-3,4-dihydrothiéno[3,4-d]pyridazine-1-carboxylique [French] [ACD/IUPAC Name]
Thieno[3,4-d]pyridazine-1-carboxylic acid, 5-amino-3,4-dihydro-4-oxo-3-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 576.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 302.5±32.9 °C
Index of Refraction: 1.695
Molar Refractivity: 78.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 205.1±7.0 cm3

Click to predict properties on the Chemicalize site


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