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1149388-51-1

1149388-51-1 structural image
Product Name: Methyl 4-cyano-2-fluoro-5-nitrobenzoate
Formula: C9H5FN2O4
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COMPUTED DESCRIPTORS

Molecular Weight 224.14 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 224.02333481 g/mol
Monoisotopic Mass 224.02333481 g/mol
Topological Polar Surface Area 95.9 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 345
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