methyl 4-cyano-2-fluoro-5-nitrobenzoate


Chemical Name: methyl 4-cyano-2-fluoro-5-nitrobenzoate
CAS Number: 1149388-51-1
Product Number: AG000FGX(AGN-PC-0HF647)
Synonyms:
MDL No:
Molecular Formula: C9H5FN2O4
Molecular Weight: 224.1454

Identification/Properties


Computed Properties
Molecular Weight:
224.147g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
224.023g/mol
Monoisotopic Mass:
224.023g/mol
Topological Polar Surface Area:
95.9A^2
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

Safety Information


NMR Spectrum


Other Analytical Data


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