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(E)-2,6-difluoro-4-(3-(phenyldiazenyl)-4-(pyridin-4-yl)phenyl)pyridine

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DataCite Commons2025-03-17 更新2025-04-09 收录
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https://www.chemotion-repository.net/inchikey/IHOGTNOTZYBLHR-BYYHNAKLSA-N.1
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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
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