CAS
92-81-9 Purity
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92-81-9 Purity
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Specification
The molecular formula is C9H7BrCl2O.
It was created on October 26, 2006.
The molecular weight is 281.96 g/mol.
There are 0 hydrogen bond donor counts.
The canonical SMILES representation is CC(C(=O)C1=C(C=C(C=C1)Cl)Cl)Br.
The XLogP3-AA value is 4.1.
There is 1 hydrogen bond acceptor count.
The topological polar surface area is 17.1 Å2.
Yes, it is a canonicalized compound.
The InChIKey is KQHLBMVGQBPSMT-UHFFFAOYSA-N.