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1214328-90-1

1214328-90-1 structural image
Product Name: Methyl 5-nitro-2-(trifluoromethyl)benzoate
Formula: C9H6F3NO4
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COMPUTED DESCRIPTORS

Molecular Weight 249.14 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Exact Mass 249.02489216 g/mol
Monoisotopic Mass 249.02489216 g/mol
Topological Polar Surface Area 72.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 312
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