1-Cyclopropyl-2-(2-fluorophenyl)ethane-1,2-dione - ≥98% , CAS No.1391054-37-7

CAS: 1391054-37-7 Cat. No.: C190799 Fórmula: C₁₁H₉FO₂ Peso molecular: 192.19

GRADE & PURITY ≥98%

Synonyms

1-cyclopropyl-2-(2-fluorophenyl)ethane-1,2-dione | SCHEMBL13249018 | 1-cyclopropyl-2-(2-fluorophenyl)-1,2-Ethanedione | FT-0738010 | 1-Cyclopropyl-2-(2-fluorophenyl)ethan-1,2-dione | 1,2-Ethanedione, 1-cyclopropyl-2-(2-fluorophenyl)- | PRASUGREL DIKETONE

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-cyclopropyl-2-(2-fluorophenyl)ethane-1,2-dione | SCHEMBL13249018 | 1-cyclopropyl-2-(2-fluorophenyl)-1,2-Ethanedione | FT-0738010 | 1-Cyclopropyl-2-(2-fluorophenyl)ethan-1,2-dione | 1,2-Ethanedione, 1-cyclopropyl-2-(2-fluorophenyl)- | PRASUGREL DIKETONE

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

C1CC1C(=O)C(=O)C2=CC=CC=C2F

IUPAC Name

1-cyclopropyl-2-(2-fluorophenyl)ethane-1,2-dione

InChIKey

FLCZRRMMACTIMB-UHFFFAOYSA-N

INCHI

1S/C11H9FO2/c12-9-4-2-1-3-8(9)11(14)10(13)7-5-6-7/h1-4,7H,5-6H2

SMILES isoméricas

C1CC1C(=O)C(=O)C2=CC=CC=C2F

Peso molecular

192.19

Reaxy-Rn

34424954

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34424954&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Aryl ketones Fluorobenzenes Aryl fluorides Alpha-diketones Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Aryl ketone - Halobenzene - Fluorobenzene - Alpha-diketone - Aryl halide - Aryl fluoride - Vinylogous halide - Ketone - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 192.190 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 192.059 Da
• Monoisotopic Mass: 192.059 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 258.000
• 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