908128-94-9 Purity
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Specification
The molecular formula of the compound is C16H11Cl2NO.
The synonyms of the compound are 1-(3,4-dichlorobenzyl)-1H-indole-3-carbaldehyde, 90815-02-4, 1-[(3,4-dichlorophenyl)methyl]indole-3-carbaldehyde, and CBMicro_006631.
The molecular weight of the compound is 304.2 g/mol.
The compound was created on July 9, 2005.
The compound was last modified on December 30, 2023.
The IUPAC name of the compound is 1-[(3,4-dichlorophenyl)methyl]indole-3-carbaldehyde.
The InChI of the compound is InChI=1S/C16H11Cl2NO/c17-14-6-5-11(7-15(14)18)8-19-9-12(10-20)13-3-1-2-4-16(13)19/h1-7,9-10H,8H2.
The InChIKey of the compound is PQXZTOVCTWAOJL-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC=C2C(=C1)C(=CN2CC3=CC(=C(C=C3)Cl)Cl)C=O.
The compound has 1 hydrogen bond acceptor.