CAS
90993-49-0 Purity
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90993-49-0 Purity
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Specification
The molecular formula is C6H4ClN3.
The molecular weight is 153.57 g/mol.
The IUPAC name is 6-chloro-7H-pyrrolo[2,3-d]pyrimidine.
The InChI code is InChI=1S/C6H4ClN3/c7-5-1-4-2-8-3-9-6(4)10-5/h1-3H,(H,8,9,10).
The InChIKey is VQAOTRGDQKVOPP-UHFFFAOYSA-N.
The canonical SMILES is C1=C(NC2=NC=NC=C21)Cl.
The CAS number is 90994-17-5.
The molecular weight is 153.57 g/mol.
It has 1 hydrogen bond donor count.
Yes, it is a canonicalized compound.