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

CAS: 193354-13-1 Cat. No.: I587911 Summenformel: C₈H₆INO Molekulargewicht: 259.05 EG-Nummer: 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

Synonyme

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 |

Spezifikationen & Reinheit

≥95%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 528761994
• Kanonisches Lächeln: 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)
• Isomere SMILES: C1C2=C(C=CC(=C2)I)NC1=O
• Alternative CAS-Nummer: 193354-13-1
• Molekulargewicht: 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
    • Klasse Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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