5-Iodoindolin-2-one - ≥95% , CAS No.193354-13-1

CAS: 193354-13-1 Cat. No.: I587911 Fórmula: C₈H₆INO Peso molecular: 259.05 Número EC: 850-915-1

GRADE & PURITY ≥95%

Synonyms

2H-INDOL-2-ONE, 1,3-DIHYDRO-5-IODO- | SCHEMBL1459491 | 5-IODO-1,3-DIHYDRO-INDOL-2-ONE | 5-iodo-1,3-dihydroindol-2-one | DTXSID70431625 | SY004828 | 5-IODOINDOLIN-2-ONE | MFCD08669500 | MB06441 | FT-0705485 | 5-IODO-2,3-DIHYDRO-1H-INDOL-2-ONE | AS-62432 |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2H-INDOL-2-ONE, 1,3-DIHYDRO-5-IODO- | SCHEMBL1459491 | 5-IODO-1,3-DIHYDRO-INDOL-2-ONE | 5-iodo-1,3-dihydroindol-2-one | DTXSID70431625 | SY004828 | 5-IODOINDOLIN-2-ONE | MFCD08669500 | MB06441 | FT-0705485 | 5-IODO-2,3-DIHYDRO-1H-INDOL-2-ONE | AS-62432 |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

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

528761994

Sonrisas canónicas

C1C2=C(C=CC(=C2)I)NC1=O

IUPAC Name

5-iodo-1,3-dihydroindol-2-one

InChIKey

FAIHEVFTQPMOLE-UHFFFAOYSA-N

INCHI

1S/C8H6INO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)

Isómeros SMILES

C1C2=C(C=CC(=C2)I)NC1=O

CAS alternativo

193354-13-1

Peso molecular

259.05

Reaxy-Rn

8616320

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8616320&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 iodides Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Aryl halide - Aryl iodide - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - 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

• Peso molecular: 259.040 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 258.949 Da
• Monoisotopic Mass: 258.949 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 183.000
• 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