(E)-3-(furan-2-yl)acryloyl azide - ≥95% , CAS No.119924-26-4

CAS: 119924-26-4 Cat. No.: E978049 Peso molecular: 163.13 PubChem CID: 6091949

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=COC(=C1)C=CC(=O)N=[N+]=[N-]
• IUPAC Name: (E)-3-(furan-2-yl)prop-2-enoyl azide
• InChIKey: TYRPHHUJSDCXEE-ONEGZZNKSA-N
• INCHI: 1S/C7H5N3O2/c8-10-9-7(11)4-3-6-2-1-5-12-6/h1-5H/b4-3+
• Isómeros SMILES: C1=COC(=C1)/C=C/C(=O)N=[N+]=[N-]
• PubChem CID: 6091949
• Peso molecular: 163.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Furans Carboxylic acid azides Azo imides Azo compounds Oxacyclic compounds Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Carboxylic acid azide - Furan - Heteroaromatic compound - Azo compound - Azo imide - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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

Propiedades químicas y físicas

• Peso molecular: 163.130 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.038 Da
• Monoisotopic Mass: 163.038 Da
• Topological Polar Surface Area: 44.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 243.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1