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861210-70-0

861210-70-0 structural image
Product Name: 4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2-METHYL-1,3,4-BENZOXADIAZEPIN-5(4H)-ONE
Formula: C15H9ClF3N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 355.70 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 1
Exact Mass 355.0335387 g/mol
Monoisotopic Mass 355.0335387 g/mol
Topological Polar Surface Area 54.8 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 529
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