ChemSpider 2D Image | 4-{[4-(4-Bromo-phenyl)-thiazol-2-yl]hydrazonomethyl}-2-methoxy-6-nitro-phenol | C17H13BrN4O4S

4-{[4-(4-Bromo-phenyl)-thiazol-2-yl]hydrazonomethyl}-2-methoxy-6-nitro-phenol

  • Molecular FormulaC17H13BrN4O4S
  • Average mass449.279 Da
  • Monoisotopic mass447.984070 Da
  • ChemSpider ID78434278

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(E)-{[4-(4-Bromophenyl)-1,3-thiazol-2-yl]hydrazono}methyl]-2-methoxy-6-nitrophenol [ACD/IUPAC Name]
4-[(E)-{[4-(4-Bromophényl)-1,3-thiazol-2-yl]hydrazono}méthyl]-2-méthoxy-6-nitrophénol [French] [ACD/IUPAC Name]
4-[(E)-{[4-(4-Bromphenyl)-1,3-thiazol-2-yl]hydrazono}methyl]-2-methoxy-6-nitrophenol [German] [ACD/IUPAC Name]
4-{[4-(4-Bromo-phenyl)-thiazol-2-yl]hydrazonomethyl}-2-methoxy-6-nitro-phenol
Benzaldehyde, 4-hydroxy-3-methoxy-5-nitro-, 2-[4-(4-bromophenyl)-2-thiazolyl]hydrazone [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4463354/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 607.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 321.4±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 105.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2437.19
ACD/KOC (pH 5.5): 8360.30
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 103.44
ACD/KOC (pH 7.4): 354.82
Polar Surface Area: 141 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 270.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement