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57392-44-6

57392-44-6 structural image
Product Name: 2,2,2-TRICHLOROETHYL BUTYRATE
Formula: C6H9Cl3O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1185 1180 1183 1191 1207 1218 1144

COMPUTED DESCRIPTORS

Molecular Weight 219.5 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 217.966813 g/mol
Monoisotopic Mass 217.966813 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 130
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