96184-81-5 Purity
98%
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Specification
The molecular formula of 6-Chloro-5-methylisatin is C9H6ClNO2.
The molecular weight of 6-Chloro-5-methylisatin is 195.60 g/mol.
The IUPAC name of 6-Chloro-5-methylisatin is 6-chloro-5-methyl-1H-indole-2,3-dione.
The InChI of 6-Chloro-5-methylisatin is InChI=1S/C9H6ClNO2/c1-4-2-5-7(3-6(4)10)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13).
The InChIKey of 6-Chloro-5-methylisatin is PDNPCCKRVLBASB-UHFFFAOYSA-N.
The Canonical SMILES of 6-Chloro-5-methylisatin is CC1=CC2=C(C=C1Cl)NC(=O)C2=O.
The CAS number of 6-Chloro-5-methylisatin is 96187-75-6.
The XLogP3 value of 6-Chloro-5-methylisatin is 1.8.
6-Chloro-5-methylisatin has 1 hydrogen bond donor count.
Yes, the compound is canonicalized according to PubChem records.