CAS
94474-32-5 Purity
96%
94474-32-5 Purity
96%
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula is C8H11BN2O3.
The molecular weight is 194.00 g/mol.
The IUPAC name is [6-(ethylcarbamoyl)pyridin-3-yl]boronic acid.
The InChI is InChI=1S/C8H11BN2O3/c1-2-10-8(12)7-4-3-6(5-11-7)9(13)14/h3-5,13-14H,2H2,1H3,(H,10,12).
The InChIKey is KPFXJXXKUBFCRT-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CN=C(C=C1)C(=O)NCC)(O)O.
The hydrogen bond donor count is 3.
The hydrogen bond acceptor count is 4.
There are 3 rotatable bonds.
The topological polar surface area is 82.42.