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929972-57-6

929972-57-6 structural image
Product Name: 2-CHLORO-5-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)ANILINE
Formula: C13H15ClN4
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COMPUTED DESCRIPTORS

Molecular Weight 262.74 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 262.0985242 g/mol
Monoisotopic Mass 262.0985242 g/mol
Topological Polar Surface Area 56.7 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 288
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