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1026355-57-6

1026355-57-6 structural image
Product Name: methyl 2-bromo-5-(trifluoromethyl)benzoate
Formula: C9H6BrF3O2
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COMPUTED DESCRIPTORS

Molecular Weight 283.04 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 281.95033 g/mol
Monoisotopic Mass 281.95033 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 242
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