Complaint
Basic information
Chemical formula: C17H17ClO6
Molecular weight: 352.766
CAS number: 126-07-8
EINECS number: 204-767-4
Physical and chemical properties
Density: 1.38g/cm3
Melting point: 218-220ºC
Boiling point: 570.4ºC
Flash point: 228ºC
Refractive index: 1.565
Appearance: White to light cream crystalline powder
Solubility: Soluble in tetrachloroethane, soluble in acetone or chloroform, slightly soluble in methanol or ethanol, very slightly soluble in water [3]
Molecular structure data
Molar refractive index: 80.66
Molar volume (cm3/mol) : 238.3
Isotonic specific volume (90.2K) : 648.9
Surface tension (dyne/cm) : 54.9
Polarizability (10-24cm3) : 31.97 [3]
Computational chemical data
Reference value for calculating hydrophobic parameter (XlogP) : None
Number of hydrogen bond donors: 0
Number of hydrogen bond receptors: 6
Number of rotatable bonds: 3
Number of tautomers: 2
Topological molecular polar surface area: 71.1
Number of heavy atoms: 24
Surface charge: 0
Complexity: 575
Number of isotope atoms: 0
Determine the number of protonic centers: 2
Number of uncertain protonic centers: 0
Determine the number of chemical bond stereocenter: 0
Number of uncertain bond stereocentes: 0
Number of covalent bond units: 1 [3]
