CAS
173315-54-3 Purity
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173315-54-3 Purity
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The molecular formula is C11H10ClNO.
The molecular weight is 207.65 g/mol.
The IUPAC name is 2-chloro-7-methoxy-4-methylquinoline.
The InChI code is InChI=1S/C11H10ClNO/c1-7-5-11(12)13-10-6-8(14-2)3-4-9(7)10/h3-6H,1-2H3.
The InChIKey is SMJPQHMCVFWKMI-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=NC2=C1C=CC(=C2)OC)Cl.
The CAS number is 97892-67-6.
The XLogP3-AA value is 3.5.
The hydrogen bond donor count is 0.
Yes, it is a canonicalized compound.