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878617-59-5

878617-59-5 structural image
Product Name: 6-(2-CHLORO-PROPIONYL)-2-METHYL-4H-BENZO[1,4]OXAZIN-3-ONE
Formula: C12H12ClNO3
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COMPUTED DESCRIPTORS

Molecular Weight 253.68 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
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 55.4 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 334
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes