CAS
914636-74-1 Purity
96%
914636-74-1 Purity
96%
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Specification
The molecular formula is C6H4BrN3.
The molecular weight is 198.02 g/mol.
The IUPAC name is 4-bromo-7H-pyrrolo[2,3-d]pyrimidine.
The InChI is InChI=1S/C6H4BrN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10).
The InChIKey is ZFGUUMUJFWDZAB-UHFFFAOYSA-N.
The canonical SMILES is C1=CNC2=C1C(=NC=N2)Br.
The CAS number is 889939-42-8.
The EC number is 870-783-9.
Yes, it is a canonicalized compound.