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1027511-29-0

1027511-29-0 structural image
Product Name: METHYL 4-(TRIFLUOROMETHYL)-6-(THIOPHEN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLATE
Formula: C14H9F3N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 326.30 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 326.03368319 g/mol
Monoisotopic Mass 326.03368319 g/mol
Topological Polar Surface Area 83.2 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 435
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