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3974-99-0

3974-99-0 structural image
Product Name: isopropyl trichloroacetate
Formula: C5H7Cl3O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 995 995 995.9

COMPUTED DESCRIPTORS

Molecular Weight 205.46 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 203.951163 g/mol
Monoisotopic Mass 203.951163 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 127
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