6-(2-Ethoxy-4-formylphenoxy)nicotinonitrile - ≥95% , CAS No.676495-31-1

CAS: 676495-31-1 Cat. No.: E1249994 Summenformel: C₁₅H₁₂N₂O₃ Molekulargewicht: 268.27

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CCOC1=C(C=CC(=C1)C=O)OC2=NC=C(C=C2)C#N

IUPAC Name

6-(2-ethoxy-4-formylphenoxy)pyridine-3-carbonitrile

InChIKey

GHVWADGVEANDSS-UHFFFAOYSA-N

INCHI

1S/C15H12N2O3/c1-2-19-14-7-11(10-18)3-5-13(14)20-15-6-4-12(8-16)9-17-15/h3-7,9-10H,2H2,1H3

Molekulargewicht

268.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes 3-pyridinecarbonitriles Alkyl aryl ethers Heteroaromatic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - 3-pyridinecarbonitrile - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Cyanide - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 268.270 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 268.085 Da
• Monoisotopic Mass: 268.085 Da
• Topological Polar Surface Area: 72.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 365.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1