4,5-Difluorooxindole - ≥95% , CAS No.850429-64-0

CAS: 850429-64-0 Cat. No.: D186980 Fórmula: C₈H₅F₂NO Peso molecular: 169.13

GRADE & PURITY ≥95%

Synonyms

Methyl(R)-1-Boc-3-piperidineacetate | 2H-Indol-2-one, 4,5-difluoro-1,3-dihydro- | 4,5-difluoro-1,3-dihydro-indol-2-one | 4,5-difluoro-1,3-dihydroindol-2-one | YUPHSWQGQCGBQH-UHFFFAOYSA-N | MFCD04112481 | AKOS006343007 | D70637 | DTXSID80395648 | AS-58410

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Methyl(R)-1-Boc-3-piperidineacetate | 2H-Indol-2-one, 4,5-difluoro-1,3-dihydro- | 4,5-difluoro-1,3-dihydro-indol-2-one | 4,5-difluoro-1,3-dihydroindol-2-one | YUPHSWQGQCGBQH-UHFFFAOYSA-N | MFCD04112481 | AKOS006343007 | D70637 | DTXSID80395648 | AS-58410

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

528759469

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528759469

Sonrisas canónicas

C1C2=C(C=CC(=C2F)F)NC1=O

IUPAC Name

4,5-difluoro-1,3-dihydroindol-2-one

InChIKey

YUPHSWQGQCGBQH-UHFFFAOYSA-N

INCHI

1S/C8H5F2NO/c9-5-1-2-6-4(8(5)10)3-7(12)11-6/h1-2H,3H2,(H,11,12)

Isómeros SMILES

C1C2=C(C=CC(=C2F)F)NC1=O

Peso molecular

169.13

Reaxy-Rn

8314942

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8314942&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Benzenoids Aryl fluorides Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Aryl fluoride - Aryl halide - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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

• Sensibilidad: Moisture sensitive
• Peso molecular: 169.130 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 169.034 Da
• Monoisotopic Mass: 169.034 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 209.000
• 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