2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,10-anthraquinone

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C20H19BO4/c1-19(2)20(3,4)25-21(24-19)12-9-10-15-16(11-12)18(23)14-8-6-5-7-13(14)17(15)22/h5-11H,1-4H3, and canonical SMILES descriptor[cheminf_000007]: O=C1c2cc(ccc2C(=O)c2c1cccc2)B1OC(C(O1)(C)C)(C)C, and by the IUPAC name[cheminf_000107]: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracene-9,10-dione. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-34937 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 176.0 (°C) Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY) CHMO:0000594 | 11B nuclear magnetic resonance spectroscopy (11B NMR) CHMO:0000726 | high resolution fast-atom bombardment mass spectrometry (HRFABMS) CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations