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The molecular formula of the compound is C16H12ClNO.
The molecular weight of the compound is 269.72 g/mol.
The IUPAC Name of the compound is 1-[(2-chlorophenyl)methyl]indole-3-carbaldehyde.
The InChI of the compound is InChI=1S/C16H12ClNO/c17-15-7-3-1-5-12(15)9-18-10-13(11-19)14-6-2-4-8-16(14)18/h1-8,10-11H,9H2.
The InChIKey of the compound is QMPDMKKPNRPZFV-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=O)Cl.
The CAS number of the compound is 90815-00-2.
The XLogP3-AA value of the compound is 3.7.
The compound has 0 hydrogen bond donor count.
The compound has 3 rotatable bond count.
908126-54-5
908127-11-7
908128-94-9
90815-01-3
90815-02-4
90817-13-3
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