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

CAS: 193354-13-1 Cat. No.: I587911 Formule: C₈H₆INO Poids moléculaire: 259.05 Numéro CE: 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

Synonymes

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 |

Spécifications et pureté

≥95%

Conditions de stockage de stockage

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

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528761994

Sourires canoniques

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)

Isomères SMILES

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

CAS alternatif

193354-13-1

Poids moléculaire

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
    • 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 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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