2,6-Difluoro-3-iodobenzaldehyde , CAS No.1160573-18-1

CAS: 1160573-18-1 Cat. No.: D1021345 Peso molecular: 267.99 PubChem CID: 50997882

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C(=C1F)C=O)F)I
• IUPAC Name: 2,6-difluoro-3-iodobenzaldehyde
• InChIKey: QQRGMYLZCBRCRD-UHFFFAOYSA-N
• INCHI: 1S/C7H3F2IO/c8-5-1-2-6(10)7(9)4(5)3-11/h1-3H
• Isómeros SMILES: C1=CC(=C(C(=C1F)C=O)F)I
• PubChem CID: 50997882
• Peso molecular: 267.99

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Iodobenzenes Fluorobenzenes Vinylogous halides Vinyl iodides Vinyl fluorides Iodoalkenes Fluoroalkenes Organoiodides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Iodobenzene - Halobenzene - Fluorobenzene - Vinylogous halide - Iodoalkene - Fluoroalkene - Haloalkene - Vinyl iodide - Vinyl halide - Vinyl fluoride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organofluoride - Organohalogen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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: 268.000 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 267.92 Da
• Monoisotopic Mass: 267.92 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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