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17687-63-7

17687-63-7 structural image
Product Name: 2-Butanone, 1-chloro-3-methyl-
Formula: C5H9ClO
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 872 820

COMPUTED DESCRIPTORS

Molecular Weight 120.58 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 120.0341926 g/mol
Monoisotopic Mass 120.0341926 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 68.5
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