AHR 11652 - ≥95% , CAS No.241825-88-7

CAS: 241825-88-7 Cat. No.: A353913 Peso molecular: 330.13 Número EC: 814-301-7

GRADE & PURITY ≥95%

Synonyms

7-(4-Bromobenzoyl)indoline-2,3-dione | SCHEMBL16796990 | AHR 11652 | Bromfenac Impurity 6 | 7-(4-BroMobenzoyl)- | BCP33619 | DTXSID50746966 | 7-(4-Bromobenzoyl)-1H-indole-2,3-dione | FT-0661443

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

7-(4-Bromobenzoyl)indoline-2, 3-dione | SCHEMBL16796990 | AHR 11652 | Bromfenac Impurity 6 | 7-(4-BroMobenzoyl)- | BCP33619 | DTXSID50746966 | 7-(4-Bromobenzoyl)-1H-indole-2, 3-dione | FT-0661443

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: 504772088
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772088
• Sonrisas canónicas: C1=CC2=C(C(=C1)C(=O)C3=CC=C(C=C3)Br)NC(=O)C2=O
• IUPAC Name: 7-(4-bromobenzoyl)-1H-indole-2,3-dione
• InChIKey: OKYHDBOEDYARAM-UHFFFAOYSA-N
• INCHI: 1S/C15H8BrNO3/c16-9-6-4-8(5-7-9)13(18)10-2-1-3-11-12(10)17-15(20)14(11)19/h1-7H,(H,17,19,20)
• Isómeros SMILES: C1=CC2=C(C(=C1)C(=O)C3=CC=C(C=C3)Br)NC(=O)C2=O
• Peso molecular: 330.13
• Reaxy-Rn: 30665164
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30665164&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Aryl-phenylketones Indolines Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous amides Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Indole or derivatives - Dihydroindole - Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Ketone - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

• Solubilidad: Acetone (Slightly, Heated), Chloroform (Slightly, Heated), DMSO (Slightly)
• Punto de fusión (°C): >220° C (dec.)
• Peso molecular: 330.130 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 328.969 Da
• Monoisotopic Mass: 328.969 Da
• Topological Polar Surface Area: 63.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 442.000
• 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