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398497-81-9

398497-81-9 structural image
Product Name: 2-FE-BETA-CIT
Formula: C17H21FINO2
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COMPUTED DESCRIPTORS

Molecular Weight 417.26 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 417.06010 g/mol
Monoisotopic Mass 417.06010 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 400
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes