CAS
14401-73-1 Purity
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14401-73-1 Purity
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The molecular formula is C7H5BrCl2.
The molecular weight is 239.92 g/mol.
The IUPAC name is 4-bromo-1-chloro-2-(chloromethyl)benzene.
The InChI is InChI=1S/C7H5BrCl2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,4H2.
The InChIKey is XEFCTCLLJDRHSB-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1Br)CCl)Cl.
The CAS number is 928758-19-4.
The XLogP3-AA value is 3.6.
The hydrogen bond donor count is 0.
Yes, it is a canonicalized compound.