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1768-31-6

1768-31-6 structural image
Product Name: pentachloroacetone
Formula: C3HCl5O
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1078

COMPUTED DESCRIPTORS

Molecular Weight 230.3 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 229.844053 g/mol
Monoisotopic Mass 227.847003 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 114
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes