ChemSpider 2D Image | 3-Bromophenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate | C17H10BrClO4

3-Bromophenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate

  • Molecular FormulaC17H10BrClO4
  • Average mass393.616 Da
  • Monoisotopic mass391.945099 Da
  • ChemSpider ID23264208

More details:

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

2H-1-Benzopyran-3-carboxylic acid, 6-(chloromethyl)-2-oxo-, 3-bromophenyl ester [ACD/Index Name]
3-Bromophenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate [ACD/IUPAC Name]
3-Bromphenyl-6-(chlormethyl)-2-oxo-2H-chromen-3-carboxylat [German] [ACD/IUPAC Name]
6-(Chlorométhyl)-2-oxo-2H-chromène-3-carboxylate de 3-bromophényle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL443830/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 571.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.6±30.1 °C
Index of Refraction: 1.648
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1183.68
ACD/KOC (pH 5.5): 5513.41
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1183.68
ACD/KOC (pH 7.4): 5513.41
Polar Surface Area: 53 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 242.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement