ChemSpider 2D Image | Methyl 3-(2-{[2-bromo-4-(2-methyl-2-propanyl)phenoxy]acetyl}hydrazino)-3-oxopropanoate | C16H21BrN2O5

Methyl 3-(2-{[2-bromo-4-(2-methyl-2-propanyl)phenoxy]acetyl}hydrazino)-3-oxopropanoate

  • Molecular FormulaC16H21BrN2O5
  • Average mass401.252 Da
  • Monoisotopic mass400.063385 Da
  • ChemSpider ID26261998

More details:

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

3-(2-{2-[2-Bromo-4-(2-méthyl-2-propanyl)phénoxy]acétyl}hydrazino)-3-oxopropanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(2-{[2-bromo-4-(2-methyl-2-propanyl)phenoxy]acetyl}hydrazino)-3-oxopropanoate [ACD/IUPAC Name]
Methyl-3-(2-{[2-brom-4-(2-methyl-2-propanyl)phenoxy]acetyl}hydrazino)-3-oxopropanoat [German] [ACD/IUPAC Name]
Propanedioic acid, monomethyl ester, 2-[2-[2-bromo-4-(1,1-dimethylethyl)phenoxy]acetyl]hydrazide [ACD/Index Name]
methyl 3-{2-[(2-bromo-4-tert-butylphenoxy)acetyl]hydrazino}-3-oxopropanoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 563.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.6±30.1 °C
Index of Refraction: 1.532
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.11
ACD/KOC (pH 5.5): 407.56
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 30.96
ACD/KOC (pH 7.4): 405.65
Polar Surface Area: 94 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 294.2±3.0 cm3

Click to predict properties on the Chemicalize site


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