948294-27-7 Purity
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Specification
The molecular formula is C13H13Cl2N.
It was created on 2007-11-13 and last modified on 2023-12-30.
The molecular weight is 254.15 g/mol.
The IUPAC name is 2-chloro-3-(2-chloroethyl)-6,8-dimethylquinoline.
The InChI is InChI=1S/C13H13Cl2N/c1-8-5-9(2)12-11(6-8)7-10(3-4-14)13(15)16-12/h5-7H,3-4H2,1-2H3.
The InChIKey is ZEZMZEDNHJQDNF-UHFFFAOYSA-N.
The Canonical SMILES is CC1=CC(=C2C(=C1)C=C(C(=N2)Cl)CCCl)C.
This compound has 0 hydrogen bond donor counts.
The topological polar surface area is 12.92.
Yes, the compound is canonicalized according to PubChem.