934-54-3 Purity
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Specification
The molecular formula of 5-Amino-8-Chloroisoquinoline is C9H7ClN2.
The molecular weight of 5-Amino-8-Chloroisoquinoline is 178.62 g/mol.
The IUPAC name of 5-Amino-8-Chloroisoquinoline is 8-chloroisoquinolin-5-amine.
The InChI of 5-Amino-8-Chloroisoquinoline is InChI=1S/C9H7ClN2/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-5H,11H2.
The InChIKey of 5-Amino-8-Chloroisoquinoline is KPTATDQIEWLVTK-UHFFFAOYSA-N.
The canonical SMILES of 5-Amino-8-Chloroisoquinoline is C1=CC(=C2C=NC=CC2=C1N)Cl.
The CAS number of 5-Amino-8-Chloroisoquinoline is 934554-41-3.
The hydrogen bond donor count of 5-Amino-8-Chloroisoquinoline is 1.
Yes, 5-Amino-8-Chloroisoquinoline is a canonicalized compound.