91427-44-0 Purity
96%
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The molecular formula is C12H10FNO3.
The molecular weight is 235.21 g/mol.
The IUPAC name is methyl 4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxylate.
The InChI code is InChI=1S/C12H10FNO3/c1-7-14-10(11(17-7)12(15)16-2)8-3-5-9(13)6-4-8/h3-6H,1-2H3.
The InChIKey is NCGCHFJZHHCASH-UHFFFAOYSA-N.
The canonical SMILES representation is CC1=NC(=C(O1)C(=O)OC)C2=CC=C(C=C2)F.
The CAS number is 914287-71-1.
The compound has 0 hydrogen bond donor counts.
The compound has 5 hydrogen bond acceptor counts.
Yes, the compound is canonicalized.