944906-48-3 Purity
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Specification
The molecular formula is C8H4FNO3.
The synonyms include 944907-28-2, 6-FLUOROBENZO[D]OXAZOLE-2-CARBOXYLIC ACID, 6-FLUORO-BENZOOXAZOLE-2-CARBOXYLIC ACID, and 6-FLUORO-1,3-BENZOXAZOLE-2-CARBOXYLIC ACID.
The molecular weight is 181.12 g/mol.
The IUPAC name is 6-fluoro-1,3-benzoxazole-2-carboxylic acid.
The InChI is InChI=1S/C8H4FNO3/c9-4-1-2-5-6(3-4)13-7(10-5)8(11)12/h1-3H,(H,11,12).
The InChIKey is WKEXCBZRZGHEDG-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=C(C=C1F)OC(=N2)C(=O)O.
The CAS number is 944907-28-2.
Yes, it is considered to be a canonicalized compound.