UKH

p-nitrophenylboronic acid

Created:	2021-02-26
Last modified:	2021-06-30

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1 entries where UKH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of UKH

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Chemical Component Summary
Name	p-nitrophenylboronic acid
Synonyms	(4-nitrophenyl)boronic acid; 2773552
Systematic Name (OpenEye OEToolkits)	(4-nitrophenyl)boronic acid
Formula	C₆ H₆ B N O₄
Molecular Weight	166.927
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OB(O)c1ccc(cc1)[N+]([O-])=O
SMILES	OpenEye OEToolkits	2.0.7	B(c1ccc(cc1)[N+](=O)[O-])(O)O
Canonical SMILES	CACTVS	3.385	OB(O)c1ccc(cc1)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	B(c1ccc(cc1)[N+](=O)[O-])(O)O
InChI	InChI	1.03	InChI=1S/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H
InChIKey	InChI	1.03	NSFJAFZHYOAMHL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2773552
ChEMBL	CHEMBL91108

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.