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181282-80-4

181282-80-4 structural image
Product Name: Methyl 4-chloro-3-cyanobenzoate
Formula: C9H6ClNO2
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COMPUTED DESCRIPTORS

Molecular Weight 195.60 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 195.0087061 g/mol
Monoisotopic Mass 195.0087061 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 245
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