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112037-78-2

112037-78-2 structural image
Product Name: 1-TRIFLUOROMETHYL-2,3,4,9-TETRAHYDRO-1H-B-CARBOLINE
Formula: C12H11F3N2
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COMPUTED DESCRIPTORS

Molecular Weight 240.22 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 240.08743285 g/mol
Monoisotopic Mass 240.08743285 g/mol
Topological Polar Surface Area 27.8 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 292
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes