CAS
94314-06-4 Purity
96%
94314-06-4 Purity
96%
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Specification
The molecular formula is C10H12ClNO.
The PubChem CID number is 66745.
The IUPAC name is 4-[2-chloroethyl(methyl)amino]benzaldehyde.
The InChI is InChI=1S/C10H12ClNO/c1-12(7-6-11)10-4-2-9(8-13)3-5-10/h2-5,8H,6-7H2,1H3.
The InChIKey is IYFULQJDHJGQKQ-UHFFFAOYSA-N.
The canonical SMILES is CN(CCCl)C1=CC=C(C=C1)C=O.
The CAS number is 94-31-5.
The molecular weight is 197.66 g/mol.
The XLogP3 value is 2.4.
Yes, it is a canonicalized compound.