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1370284-36-8

1370284-36-8 structural image
Product Name: Benzoic acid, 4-chloro-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
Formula: C12H12ClF3O2
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COMPUTED DESCRIPTORS

Molecular Weight 280.67 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 280.0477918 g/mol
Monoisotopic Mass 280.0477918 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