68424-45-3 Purity
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Specification
The molecular formula of 8-Chloro-3,4-dihydro-2H-naphthalen-1-one is C10H9ClO.
The molecular weight of 8-Chloro-3,4-dihydro-2H-naphthalen-1-one is 180.63 g/mol.
The IUPAC name of 8-Chloro-3,4-dihydro-2H-naphthalen-1-one is 8-chloro-3,4-dihydro-2H-naphthalen-1-one.
The Canonical SMILES representation of 8-Chloro-3,4-dihydro-2H-naphthalen-1-one is C1CC2=C(C(=O)C1)C(=CC=C2)Cl.
The InChIKey of 8-Chloro-3,4-dihydro-2H-naphthalen-1-one is VUPGQWJGLPAGMZ-UHFFFAOYSA-N.
8-Chloro-3,4-dihydro-2H-naphthalen-1-one has 1 hydrogen bond acceptor.
The XLogP3-AA value of 8-Chloro-3,4-dihydro-2H-naphthalen-1-one is 2.7.
8-Chloro-3,4-dihydro-2H-naphthalen-1-one has 0 rotatable bonds.
The topological polar surface area of 8-Chloro-3,4-dihydro-2H-naphthalen-1-one is 17.1 Å2.
Yes, 8-Chloro-3,4-dihydro-2H-naphthalen-1-one is considered a canonicalized compound.
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