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217317-46-9

217317-46-9 structural image
Product Name: 2-[(MESITYLAMINO)CARBONYL]-7-NITRO-5-(TRIFLUOROMETHYL)-1,3-BENZOTHIAZOL-3-IUM-3-OLATE
Formula: C18H14F3N3O4S
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COMPUTED DESCRIPTORS

Molecular Weight 425.4 g/mol
XLogP3 5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 2
Exact Mass 425.06571160 g/mol
Monoisotopic Mass 425.06571160 g/mol
Topological Polar Surface Area 129 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 635
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