Found 231 results

Search term: MF = 'C_{13}H_{9}BrN_{4}O_{3}'
ChemSpider 2D Image | [2-(4-Bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetic acid | C13H9BrN4O3

[2-(4-Bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetic acid

  • Molecular FormulaC13H9BrN4O3
  • Average mass349.140 Da
  • Monoisotopic mass347.985809 Da
  • ChemSpider ID24595105

More details:

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

[2-(4-Bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetic acid [ACD/IUPAC Name]
[2-(4-Bromphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]essigsäure [German] [ACD/IUPAC Name]
Acide [2-(4-bromophényl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acétique [French] [ACD/IUPAC Name]
Pyrazolo[1,5-d][1,2,4]triazine-5(4H)-acetic acid, 2-(4-bromophenyl)-4-oxo- [ACD/Index Name]
[2-(4-Bromo-phenyl)-4-oxo-4H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-acetic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point: 604.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.5±34.3 °C
Index of Refraction: 1.760
Molar Refractivity: 78.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.32
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 72.8±7.0 dyne/cm
Molar Volume: 191.8±7.0 cm3

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