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1713-11-7

1713-11-7 structural image
Product Name: isobutyl 4-chloro-o-tolyloxyacetate
Formula: C13H17ClO3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1715.2

COMPUTED DESCRIPTORS

Molecular Weight 256.72 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 256.0866221 g/mol
Monoisotopic Mass 256.0866221 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 243
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