867044-28-8 Purity
---
If you have any other questions or need other size, please get a quote.
The molecular formula of 2-Chloro-5-nitrophenylboronic acid is C6H5BClNO4.
The molecular weight of 2-Chloro-5-nitrophenylboronic acid is 201.37 g/mol.
The IUPAC name of 2-Chloro-5-nitrophenylboronic acid is (2-chloro-5-nitrophenyl)boronic acid.
The InChI of 2-Chloro-5-nitrophenylboronic acid is InChI=1S/C6H5BClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3,10-11H.
The InChIKey of 2-Chloro-5-nitrophenylboronic acid is KNFHCUNPMBSLRK-UHFFFAOYSA-N.
The canonical SMILES of 2-Chloro-5-nitrophenylboronic acid is B(C1=C(C=CC(=C1)[N+](=O)[O-])Cl)(O)O.
The CAS number of 2-Chloro-5-nitrophenylboronic acid is 867333-29-7.
The hydrogen bond donor count of 2-Chloro-5-nitrophenylboronic acid is 2.
The hydrogen bond acceptor count of 2-Chloro-5-nitrophenylboronic acid is 4.
Yes, 2-Chloro-5-nitrophenylboronic acid is a canonicalized compound.
Reference: [1]Patent: WO2014/71298,2014,A1 .Location in patent: Paragraph 0166
* For details of the synthesis route, please refer to the original source to ensure accuracy.