Found 231 results

Search term: MF = 'C_{13}H_{9}BrN_{4}O_{3}'
ChemSpider 2D Image | 3-(4-Bromo-3-nitro-1H-pyrazol-1-yl)-4-methyl-2(1H)-quinolinone | C13H9BrN4O3

3-(4-Bromo-3-nitro-1H-pyrazol-1-yl)-4-methyl-2(1H)-quinolinone

  • Molecular FormulaC13H9BrN4O3
  • Average mass349.140 Da
  • Monoisotopic mass347.985809 Da
  • ChemSpider ID30226211

More details:

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

2(1H)-Quinolinone, 3-(4-bromo-3-nitro-1H-pyrazol-1-yl)-4-methyl- [ACD/Index Name]
3-(4-Brom-3-nitro-1H-pyrazol-1-yl)-4-methyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-(4-Bromo-3-nitro-1H-pyrazol-1-yl)-4-méthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-(4-Bromo-3-nitro-1H-pyrazol-1-yl)-4-methyl-2(1H)-quinolinone [ACD/IUPAC Name]
3-(4-BROMO-3-NITROPYRAZOL-1-YL)-4-METHYL-1H-QUINOLIN-2-ONE

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

Density: 1.8±0.1 g/cm3
Boiling Point: 443.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 221.8±28.7 °C
Index of Refraction: 1.762
Molar Refractivity: 78.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.63
ACD/KOC (pH 5.5): 421.77
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.60
ACD/KOC (pH 7.4): 421.29
Polar Surface Area: 93 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 70.2±7.0 dyne/cm
Molar Volume: 190.9±7.0 cm3

Click to predict properties on the Chemicalize site


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