CAS
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Specification
The molecular formula is C13H9FO.
The molecular weight is 200.21 g/mol.
The IUPAC name is 3-fluoro-4-phenylbenzaldehyde.
The InChI is InChI=1S/C13H9FO/c14-13-8-10(9-15)6-7-12(13)11-4-2-1-3-5-11/h1-9H.
The InChIKey is BBFKVFLWRKZSPM-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)C2=C(C=C(C=C2)C=O)F.
The CAS number is 57592-43-5.
It has 2 hydrogen bond acceptor counts.
Yes, the compound is canonicalized.
The topological polar surface area is 17.1 Å^2.