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128101-39-3

128101-39-3 structural image
Product Name: OTAVA-BB BB7020310238
Formula: C12H12ClNO3
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COMPUTED DESCRIPTORS

Molecular Weight 253.68 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 253.0505709 g/mol
Monoisotopic Mass 253.0505709 g/mol
Topological Polar Surface Area 46.6 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 334
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes