92405-72-6 Purity
96%
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Specification
The molecular formula of Asischem r41968 is C17H14ClNO.
The molecular weight of Asischem r41968 is 283.7 g/mol.
The IUPAC name of Asischem r41968 is 1-[(4-chlorophenyl)methyl]-2-methylindole-3-carbaldehyde.
The InChI of Asischem r41968 is InChI=1S/C17H14ClNO/c1-12-16(11-20)15-4-2-3-5-17(15)19(12)10-13-6-8-14(18)9-7-13/h2-9,11H,10H2,1H3.
The InChIKey of Asischem r41968 is GDKIFZJBJKSAOH-UHFFFAOYSA-N.
The canonical SMILES of Asischem r41968 is CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)Cl)C=O.
The XLogP3-AA value of Asischem r41968 is 4.1.
Asischem r41968 has 0 hydrogen bond donor counts.
Asischem r41968 has 1 hydrogen bond acceptor count.
Asischem r41968 has 3 rotatable bond counts.