CAS
27194-74-7 Purity
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27194-74-7 Purity
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Specification
The molecular formula is C7H8Cl3N.
The molecular weight is 212.5 g/mol.
The IUPAC name is 2,3-bis(chloromethyl)pyridine;hydrochloride.
The InChI is InChI=1S/C7H7Cl2N.ClH/c8-4-6-2-1-3-10-7(6)5-9;/h1-3H,4-5H2;1H.
The InChIKey is ODUGCZCPPAKASB-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(N=C1)CCl)CCl.Cl.
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 1.
There are 2 rotatable bonds.
The topological polar surface area is 12.9 Ų.