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Homecas868238-03-3

868238-03-3

868238-03-3 structural image
Product Name: [[1-BUTYL-5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]THIO]ACETIC ACID
Formula: C14H15F3N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 332.34 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 332.08063339 g/mol
Monoisotopic Mass 332.08063339 g/mol
Topological Polar Surface Area 80.4 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 395
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