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952182-33-1

952182-33-1 structural image
Product Name: METHYL 5-(TRIFLUOROMETHYL)-1-TOSYL-1H-PYRROLO[3,2-B]PYRIDINE-2-CARBOXYLATE
Formula: C17H13F3N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 398.4 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 398.05481256 g/mol
Monoisotopic Mass 398.05481256 g/mol
Topological Polar Surface Area 86.6 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 656
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