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929000-14-6

929000-14-6 structural image
Product Name: Methyl 5-bromo-2-methylthiobenzoate
Formula: C9H9BrO2S
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COMPUTED DESCRIPTORS

Molecular Weight 261.14 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 259.95066 g/mol
Monoisotopic Mass 259.95066 g/mol
Topological Polar Surface Area 51.6 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 187
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