CAS
597554-03-5 Purity
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597554-03-5 Purity
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Specification
The molecular formula is C8H8BClO4.
The molecular weight is 214.41 g/mol.
The IUPAC name is (2-chloro-4-methoxycarbonylphenyl)boronic acid.
The InChI is InChI=1S/C8H8BClO4/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,12-13H,1H3.
The InChIKey is ITEQHBSWRMYSRP-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=C(C=C1)C(=O)OC)Cl)(O)O.
The CAS number is 603122-80-1.
The European Community (EC) number is 689-881-6.
Yes, it is a covalently-bonded unit with a count of 1.