ChemSpider 2D Image | 4-[5-(4-Bromo-phenyl)-1H-[1,2,4]triazol-3-ylazo]-phenol | C14H10BrN5O

4-[5-(4-Bromo-phenyl)-1H-[1,2,4]triazol-3-ylazo]-phenol

  • Molecular FormulaC14H10BrN5O
  • Average mass344.166 Da
  • Monoisotopic mass343.006866 Da
  • ChemSpider ID17747574

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[5-(4-Bromo-phenyl)-1H-[1,2,4]triazol-3-ylazo]-phenol
4-{(E)-[3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl]diazenyl}phenol [ACD/IUPAC Name]
4-{(E)-[3-(4-Bromophényl)-1H-1,2,4-triazol-5-yl]diazényl}phénol [French] [ACD/IUPAC Name]
4-{(E)-[3-(4-Bromphenyl)-1H-1,2,4-triazol-5-yl]diazenyl}phenol [German] [ACD/IUPAC Name]
Phenol, 4-[(E)-2-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]diazenyl]- [ACD/Index Name]
4-{[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]diazenyl}phenol

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

Density: 1.7±0.1 g/cm3
Boiling Point: 567.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 297.3±32.9 °C
Index of Refraction: 1.741
Molar Refractivity: 83.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 488.54
ACD/KOC (pH 5.5): 2918.83
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 283.55
ACD/KOC (pH 7.4): 1694.09
Polar Surface Area: 87 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 205.9±7.0 cm3

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