CAS
313545-34-5 Purity
95%
313545-34-5 Purity
95%
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Specification
The molecular formula is C9H12BClO3.
The molecular weight is 214.45 g/mol.
The IUPAC name is (2-chloro-4-propan-2-yloxyphenyl)boronic acid.
The InChI is InChI=1S/C9H12BClO3/c1-6(2)14-7-3-4-8(10(12)13)9(11)5-7/h3-6,12-13H,1-2H3.
The InChIKey is OKGHQUDYWHNUKC-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=C(C=C1)OC(C)C)Cl)(O)O.
The CAS number is 313545-47-0.
The EC number is 815-464-7.
The hydrogen bond donor count is 2.
Yes, it is a canonicalized compound.