C23H18Cl2FeN3O3

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/C23H17N3O2.2ClH.Fe.H2O/c1-28-23(27)17-10-8-16(9-11-17)18-14-21(19-6-2-4-12-24-19)26-22(15-18)20-7-3-5-13-25-20;;;;/h2-15H,1H3;2*1H;;1H2/q;;;+3;/p-3, and canonical SMILES descriptor[cheminf_000007]: O[Fe](Cl)Cl.COC(=O)c1ccc(cc1)c1cc(nc(c1)c1ccccn1)c1ccccn1, and by the IUPAC name[cheminf_000107]: .

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-55154

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 308.0 - 317.0 (°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:0000025 | cyclic voltammetry (CV)

CHMO:0000025 | cyclic voltammetry (CV)

CHMO:0000482 | electrospray ionisation mass spectrometry (ESMS)

CHMO:0001075 | elemental analysis (EA)

CHMO:0000025 | cyclic voltammetry (CV)

CHMO:0000025 | cyclic voltammetry (CV)

CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)

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