101084-81-5 Purity
98%
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The molecular formula of 2-Chloro-5-methoxymethylphenylboronic acid is C8H10BClO3.
The synonyms for 2-Chloro-5-methoxymethylphenylboronic acid are 1451392-23-6, (2-Chloro-5-(methoxymethyl)phenyl)boronic acid, [2-chloro-5-(methoxymethyl)phenyl]boronic acid, BIC39223.
The molecular weight of 2-Chloro-5-methoxymethylphenylboronic acid is 200.43 g/mol.
The IUPAC name of 2-Chloro-5-methoxymethylphenylboronic acid is [2-chloro-5-(methoxymethyl)phenyl]boronic acid.
The InChI of 2-Chloro-5-methoxymethylphenylboronic acid is InChI=1S/C8H10BClO3/c1-13-5-6-2-3-8(10)7(4-6)9(11)12/h2-4,11-12H,5H2,1H3.
The InChIKey of 2-Chloro-5-methoxymethylphenylboronic acid is CBPCPKWGIWMDQE-UHFFFAOYSA-N.
The canonical SMILES of 2-Chloro-5-methoxymethylphenylboronic acid is B(C1=C(C=CC(=C1)COC)Cl)(O)O.
The hydrogen bond donor count of 2-Chloro-5-methoxymethylphenylboronic acid is 2.
The hydrogen bond acceptor count of 2-Chloro-5-methoxymethylphenylboronic acid is 3.
The topological polar surface area of 2-Chloro-5-methoxymethylphenylboronic acid is 49.7Ų.