106134-16-1 Purity
96%
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The molecular formula of 1-Acetyl-5-bromoindolin-3-one is C10H8BrNO2.
The molecular weight of 1-Acetyl-5-bromoindolin-3-one is 254.08 g/mol.
The IUPAC name of 1-Acetyl-5-bromoindolin-3-one is 1-acetyl-5-bromo-2H-indol-3-one.
The InChI of 1-Acetyl-5-bromoindolin-3-one is InChI=1S/C10H8BrNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-4H,5H2,1H3.
The InChIKey of 1-Acetyl-5-bromoindolin-3-one is KXJGSNRAQWDDJT-UHFFFAOYSA-N.
The canonical SMILES of 1-Acetyl-5-bromoindolin-3-one is CC(=O)N1CC(=O)C2=C1C=CC(=C2)Br.
The CAS number of 1-Acetyl-5-bromoindolin-3-one is 106698-07-1.
The XLogP3-AA value of 1-Acetyl-5-bromoindolin-3-one is 1.6.
Yes, 1-Acetyl-5-bromoindolin-3-one is a canonicalized compound.