4-Propyl-2，3''，4''，5''-tetrafluoro-1，1':4'，1''-Terphenyl - ≥99% , CAS No.205806-88-8

CAS: 205806-88-8 Cat. No.: P734684 Peso molecular: 344.3 PubChem CID: 67567646

GRADE & PURITY ≥99%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)F)F)F
• IUPAC Name: 1,2,3-trifluoro-5-[4-(2-fluoro-4-propylphenyl)phenyl]benzene
• InChIKey: XOGPWSCWTHCEKH-UHFFFAOYSA-N
• INCHI: 1S/C21H16F4/c1-2-3-13-4-9-17(18(22)10-13)15-7-5-14(6-8-15)16-11-19(23)21(25)20(24)12-16/h4-12H,2-3H2,1H3
• Isómeros SMILES: CCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)F)F)F
• PubChem CID: 67567646
• Peso molecular: 344.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Terphenyls
• Intermediate Tree Nodes: Not available
• Direct Parent: P-terphenyls
• Alternative Parents: Biphenyls and derivatives Phenylpropanes Fluorobenzenes Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para-terphenyl - Biphenyl - Phenylpropane - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-terphenyls. These are terphenyls with a structure containing the 1,4-diphenylbenzene skeleton.
• 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: 344.300 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 344.119 Da
• Monoisotopic Mass: 344.119 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 395.000
• 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