ChemSpider 2D Image | (2E)-2-{[4-(4-Bromophenyl)-1,3-thiazol-2-yl]hydrazono}-3-(2-nitrophenyl)propanoic acid | C18H13BrN4O4S

(2E)-2-{[4-(4-Bromophenyl)-1,3-thiazol-2-yl]hydrazono}-3-(2-nitrophenyl)propanoic acid

  • Molecular FormulaC18H13BrN4O4S
  • Average mass461.289 Da
  • Monoisotopic mass459.984070 Da
  • ChemSpider ID35035054

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{[4-(4-Bromophenyl)-1,3-thiazol-2-yl]hydrazono}-3-(2-nitrophenyl)propanoic acid [ACD/IUPAC Name]
(2E)-2-{[4-(4-Bromphenyl)-1,3-thiazol-2-yl]hydrazono}-3-(2-nitrophenyl)propansäure [German] [ACD/IUPAC Name]
(2E)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
Acide (2E)-2-{[4-(4-bromophényl)-1,3-thiazol-2-yl]hydrazono}-3-(2-nitrophényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[2-[4-(4-bromophenyl)-2-thiazolyl]hydrazinylidene]-2-nitro-, (αE)- [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: 662.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.2±34.3 °C
Index of Refraction: 1.720
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 4.25
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.59
Polar Surface Area: 149 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 66.7±7.0 dyne/cm
Molar Volume: 277.8±7.0 cm3

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