ChemSpider 2D Image | Methyl [4,6-dichloro-2-(4-nitrobenzyl)-5-pyrimidinyl]acetate | C14H11Cl2N3O4

Methyl [4,6-dichloro-2-(4-nitrobenzyl)-5-pyrimidinyl]acetate

  • Molecular FormulaC14H11Cl2N3O4
  • Average mass356.161 Da
  • Monoisotopic mass355.012665 Da
  • ChemSpider ID24748454

More details:

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

[4,6-Dichloro-2-(4-nitrobenzyl)-5-pyrimidinyl]acétate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidineacetic acid, 4,6-dichloro-2-[(4-nitrophenyl)methyl]-, methyl ester [ACD/Index Name]
780763-92-0 [RN]
Methyl [4,6-dichloro-2-(4-nitrobenzyl)-5-pyrimidinyl]acetate [ACD/IUPAC Name]
Methyl [4,6-dichloro-2-(4-nitrobenzyl)pyrimidin-5-yl]acetate
methyl 2-(4,6-dichloro-2-(4-nitrobenzyl)pyrimidin-5-yl)acetate
Methyl-[4,6-dichlor-2-(4-nitrobenzyl)-5-pyrimidinyl]acetat [German] [ACD/IUPAC Name]
1,1-dichloro-4-methyl-penta-1,3-diene
1,1-Dichloro-4-methylpenta-1,3-diene
4,6-dichloro-2-[(4-nitrophenyl)methyl]-5-Pyrimidineacetic acid methyl ester
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 506.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.2±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 84.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 360.08
ACD/KOC (pH 5.5): 2352.22
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 360.08
ACD/KOC (pH 7.4): 2352.22
Polar Surface Area: 98 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 243.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement