CAS
552330-87-7 Purity
96%
552330-87-7 Purity
96%
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The molecular formula is C6H3BrClN3.
The molecular weight is 232.46 g/mol.
It was created on 2010-06-21 and modified on 2023-12-02.
The IUPAC name is 6-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine.
The Canonical SMILES is C1=C(NC2=C1C(=NC=N2)Cl)Br.
The InChIKey is NJPXMLQSSKQIJH-UHFFFAOYSA-N.
There is 1 hydrogen bond donor count.
The exact mass is 230.91989 g/mol.
Yes, it is a canonical compound.
The topological polar surface area is 41.6Ų.