(4-Clorofenil)(4-fluorofenil)metanona - ≥98% , CAS No.2069-48-9

CAS: 2069-48-9 Cat. No.: C182671 Fórmula: C₁₃H₈ClFO Peso molecular: 234.7

GRADE & PURITY ≥98%

Synonyms

SCHEMBL698985 | (4-chlorophenyl)-(4-fluorophenyl)methanone | (4-chlorophenyl)(4-fluorophenyl)methanone | AM86745 | A18435 | YGROSAOZMCLHSW-UHFFFAOYSA-N | AKOS009338977 | MFCD07787488 | DTXSID60550314 | BS-22026 | 4-Chloro-4'-Fluoro Benzophenone | Methanon

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL698985 | (4-chlorophenyl)-(4-fluorophenyl)methanone | (4-chlorophenyl)(4-fluorophenyl)methanone | AM86745 | A18435 | YGROSAOZMCLHSW-UHFFFAOYSA-N | AKOS009338977 | MFCD07787488 | DTXSID60550314 | BS-22026 | 4-Chloro-4'-Fluoro Benzophenone | Methanon

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Temperatura ambiente

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)F

IUPAC Name

(4-chlorophenyl)-(4-fluorophenyl)methanone

InChIKey

YGROSAOZMCLHSW-UHFFFAOYSA-N

INCHI

1S/C13H8ClFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

SMILES isoméricas

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)F

Peso molecular

234.7

Reaxy-Rn

2264335

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2264335&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl halide - Aryl fluoride - Aryl chloride - Ketone - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl 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

Alvos associados (não humanos)

Trypanosoma cruzi (99888 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 234.650 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 234.025 Da
• Monoisotopic Mass: 234.025 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 240.000
• 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