90530-46-4 Purity
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The molecular formula is C8H8ClNO.
Some synonyms include 4-Amino-2-methylbenzoyl chloride and Benzoyl chloride,4-amino-2-methyl-(9ci).
The compound was created on March 30, 2010, and last modified on December 30, 2023.
The IUPAC name is 4-amino-2-methylbenzoyl chloride.
The InChI is InChI=1S/C8H8ClNO/c1-5-4-6(10)2-3-7(5)8(9)11/h2-4H,10H2,1H3.
The InChIKey is UCVRRSDHEDFYQT-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(C=CC(=C1)N)C(=O)Cl.
The molecular weight is 169.61 g/mol.
The compound has 1 hydrogen bond donor count.
Yes, the compound is canonicalized.