2-Chloro-1-(2，7-dichloro-9H-fluoren-4-yl)ethanone - ≥95% , CAS No.131023-37-5

CAS: 131023-37-5 Cat. No.: C692280 Peso molecular: 311.6 PubChem CID: 73553848

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: C1C2=C(C=CC(=C2)Cl)C3=C1C=C(C=C3C(=O)CCl)Cl
• IUPAC Name: 2-chloro-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone
• InChIKey: FUSJWQRNFMDEGH-UHFFFAOYSA-N
• INCHI: 1S/C15H9Cl3O/c16-7-14(19)13-6-11(18)5-9-3-8-4-10(17)1-2-12(8)15(9)13/h1-2,4-6H,3,7H2
• Isómeros SMILES: C1C2=C(C=CC(=C2)Cl)C3=C1C=C(C=C3C(=O)CCl)Cl
• PubChem CID: 73553848
• Peso molecular: 311.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Aryl alkyl ketones Aryl chlorides Alpha-chloroketones Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Aryl alkyl ketone - Aryl ketone - Aryl chloride - Aryl halide - Alpha-haloketone - Alpha-chloroketone - Ketone - Alkyl chloride - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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: 311.600 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 309.972 Da
• Monoisotopic Mass: 309.972 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 359.000
• 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