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Specification
The molecular formula is C11H15FN2O2.
Some synonyms include tert-butyl N-(5-amino-2-fluorophenyl)carbamate, tert-butyl(5-amino-2-fluorophenyl)carbamate, and (5-AMINO-2-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER.
The molecular weight is 226.25 g/mol.
The IUPAC name is tert-butyl N-(5-amino-2-fluorophenyl)carbamate.
The InChI is InChI=1S/C11H15FN2O2/c1-11(2,3)16-10(15)14-9-6-7(13)4-5-8(9)12/h4-6H,13H2,1-3H3,(H,14,15).
The InChIKey is FIRABEKBYKPYIS-UHFFFAOYSA-N.
The Canonical SMILES is CC(C)(C)OC(=O)NC1=C(C=CC(=C1)N)F.
The CAS number is 535170-18-4.
Yes, it is a canonicalized compound.