ethyl 7-bromo-4-fluoro-benzothiophene-2-carboxylate - ≥97% , CAS No.1098608-38-8

CAS: 1098608-38-8 Cat. No.: E679933 Peso molecular: 303.15 PubChem CID: 67187545

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥97%

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

≥97%

Propiedades del producto

• ALogP: 4.3

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=CC2=C(C=CC(=C2S1)Br)F
• InChIKey: MLWLNPPBUQQAHT-UHFFFAOYSA-N
• INCHI: 1S/C11H8BrFO2S/c1-2-15-11(14)9-5-6-8(13)4-3-7(12)10(6)16-9/h3-5H,2H2,1H3
• Isómeros SMILES: CCOC(=O)C1=CC2=C(C=CC(=C2S1)Br)F
• PubChem CID: 67187545
• Peso molecular: 303.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiophenes
      • Subclass 1-benzothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiophenes
• Subclass: 1-benzothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzothiophenes
• Alternative Parents: Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Benzenoids Aryl fluorides Aryl bromides Heteroaromatic compounds Carboxylic acid esters Organooxygen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzothiophene - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Carboxylic acid derivative - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
• 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