CAS
161491-24-3 Purity
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161491-24-3 Purity
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Specification
The molecular formula is C9H6F2O.
The molecular weight is 168.14 g/mol.
The IUPAC name is 5,6-difluoro-1,3-dihydroinden-2-one.
The InChI is InChI=1S/C9H6F2O/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3-4H,1-2H2.
The InChIKey is FPOCXYWEBBMGFD-UHFFFAOYSA-N.
The canonical SMILES is C1C(=O)CC2=CC(=C(C=C21)F)F.
The CAS number is 161712-79-4.
The XLogP3-AA value is 1.5.
It has 3 hydrogen bond acceptors.