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The molecular formula is C9H9FO2.
The molecular weight is 168.16 g/mol.
The IUPAC name is 2-ethoxy-4-fluorobenzaldehyde.
The InChI is InChI=1S/C9H9FO2/c1-2-12-9-5-8(10)4-3-7(9)6-11/h3-6H,2H2,1H3.
The InChIKey is AFNWRNDORVJZIM-UHFFFAOYSA-N.
The Canonical SMILES is CCOC1=C(C=CC(=C1)F)C=O.
The XLogP3-AA value is 1.8.
It has 0 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
It has 3 rotatable bond counts.
3,5-Dimethoxyphenyl isothiocyanate
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