(E)-2,6-difluoro-4-(3-(phenyldiazenyl)-4-(pyridin-4-yl)phenyl)pyridine
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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/C22H14F2N4/c23-21-13-17(14-22(24)26-21)16-6-7-19(15-8-10-25-11-9-15)20(12-16)28-27-18-4-2-1-3-5-18/h1-14H/b28-27+, and canonical SMILES descriptor[cheminf_000007]: Fc1nc(F)cc(c1)c1ccc(c(c1)/N=N/c1ccccc1)c1ccncc1, 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-26508
The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 182.0 (°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:0000591 | nuclear magnetic resonance spectroscopy (NMR)
CHMO:0000630 | infrared absorption spectroscopy (IR)
CHMO:0000480 | electron ionisation mass spectrometry (EI-MS)
CHMO:0000480 | electron ionisation mass spectrometry (EI-MS)
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
提供机构:
chemotion-repository
创建时间:
2025-03-17



