948592-80-1 Purity
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The PubChem CID of 2--Acetamido-5-chlorophenylboronic acid pinacol ester is 44119586.
The molecular formula of 2--Acetamido-5-chlorophenylboronic acid pinacol ester is C14H19BClNO3.
The molecular weight of 2--Acetamido-5-chlorophenylboronic acid pinacol ester is 295.57 g/mol.
The IUPAC name of 2--Acetamido-5-chlorophenylboronic acid pinacol ester is N-[4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide.
The InChI of 2--Acetamido-5-chlorophenylboronic acid pinacol ester is InChI=1S/C14H19BClNO3/c1-9(18)17-12-7-6-10(16)8-11(12)15-19-13(2,3)14(4,5)20-15/h6-8H,1-5H3,(H,17,18).
The InChIKey of 2--Acetamido-5-chlorophenylboronic acid pinacol ester is MRVKLPGHTKQJIT-UHFFFAOYSA-N.
The Canonical SMILES of 2--Acetamido-5-chlorophenylboronic acid pinacol ester is B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)Cl)NC(=O)C.
The CAS number of 2--Acetamido-5-chlorophenylboronic acid pinacol ester is 957063-08-0.
The hydrogen bond donor count of 2--Acetamido-5-chlorophenylboronic acid pinacol ester is 1.
The hydrogen bond acceptor count of 2--Acetamido-5-chlorophenylboronic acid pinacol ester is 3.