1254163-84-2 Purity
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Specification
The molecular formula is C9H7BClNO2.
It was created on April 5, 2011, and modified on December 2, 2023.
The IUPAC name is (1-chloroisoquinolin-4-yl)boronic acid.
The InChI is InChI=1S/C9H7BClNO2/c11-9-7-4-2-1-3-6(7)8(5-12-9)10(13)14/h1-5,13-14H.
The InChIKey is LIQWKDFYRGYBQH-UHFFFAOYSA-N.
The Canonical SMILES is B(C1=CN=C(C2=CC=CC=C12)Cl)(O)O.
It has 2 hydrogen bond donor counts.
The topological polar surface area is 53.4Ų.
No, it does not contain any defined bond stereocenters.
Yes, the compound is canonicalized.