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1237535-81-7

1237535-81-7 structural image
Product Name: 3-Bromo-5-trifluoromethyl-benzoic acid tert-butyl ester
Formula: C12H12BrF3O2
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COMPUTED DESCRIPTORS

Molecular Weight 325.12 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 323.99728 g/mol
Monoisotopic Mass 323.99728 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 309
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