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184951-88-0

184951-88-0 structural image
Product Name: BOC-THIONOVAL-1-(6-NITRO)BENZOTRIAZOLIDE
Formula: C16H21N5O4S
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COMPUTED DESCRIPTORS

Molecular Weight 379.4 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 379.13142534 g/mol
Monoisotopic Mass 379.13142534 g/mol
Topological Polar Surface Area 147 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 560
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes