CAS
1451393-32-0 Purity
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1451393-32-0 Purity
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The molecular formula is C7H5BCl2O3.
The molecular weight is 218.83 g/mol.
The IUPAC name is (3,5-dichloro-4-formylphenyl)boronic acid.
The InChI is InChI=1S/C7H5BCl2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-3,12-13H.
The InChIKey is ISQRJPAWYFKCBK-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C(=C1)Cl)C=O)Cl)(O)O.
It has 2 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
It has 2 rotatable bond counts.
Yes, it is a canonicalized compound.