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889940-45-8

889940-45-8 structural image
Product Name: 5-CHLORO-4,6-DIMETHYL-NICOTINIC ACID
Formula: C8H8ClNO2
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COMPUTED DESCRIPTORS

Molecular Weight 185.61 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 185.0243562 g/mol
Monoisotopic Mass 185.0243562 g/mol
Topological Polar Surface Area 50.2 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 186
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