206362-80-3 Purity
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The molecular formula of 4-Bromoisatin is C8H4BrNO2.
The molecular weight of 4-Bromoisatin is 226.03 g/mol.
The IUPAC name of 4-Bromoisatin is 4-bromo-1H-indole-2,3-dione.
The InChIKey of 4-Bromoisatin is ITRAKBJPMLKWIW-UHFFFAOYSA-N.
The Canonical SMILES representation of 4-Bromoisatin is C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2.
The CAS number of 4-Bromoisatin is 20780-72-7.
4-Bromoisatin has 1 hydrogen bond donor count.
4-Bromoisatin has 2 hydrogen bond acceptor counts.
4-Bromoisatin has 0 rotatable bond counts.
Yes, 4-Bromoisatin is a canonicalized compound.