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

CAS: 850429-64-0 Cat. No.: D186980 Formula: C₈H₅F₂NO Peso molecolare: 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

Sinonimi

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

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 528759469
• Sorrisi canonici: 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)
• Isomeri SMILES: C1C2=C(C=CC(=C2F)F)NC1=O
• Peso molecolare: 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
    • Classe Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Peso molecolare: 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