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The molecular formula is C13H14ClNO2.
The molecular weight is 251.71 g/mol.
The IUPAC name is 7-(4-chlorobutoxy)-4aH-quinolin-2-one.
The InChI is InChI=1S/C13H14ClNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h3-6,9-10H,1-2,7-8H2.
The InChIKey is RFQNTSDVDCKDKP-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC2=NC(=O)C=CC21)OCCCCCl.
The XLogP3-AA value is 2.2.
There are 0 hydrogen bond donor counts.
There are 2 hydrogen bond acceptor counts.
There are 5 rotatable bond counts.
91360-95-1
91-36-1
91361-07-8
913614-65-0
913623-69-5
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