5-Chlorobenzo[b]thiophene-3-carbaldehyde - ≥98% , CAS No.16296-68-7

CAS: 16296-68-7 Cat. No.: C701308 Peso molecular: 196.66 Número EC: 975-929-6 PubChem CID: 2798771

GRADE & PURITY ≥98%

Synonyms

5-Chloro-1-benzothiophene-3-carbaldehyde

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

5-Chloro-1-benzothiophene-3-carbaldehyde

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, 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

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=C(C=C1Cl)C(=CS2)C=O
• IUPAC Name: 5-chloro-1-benzothiophene-3-carbaldehyde
• InChIKey: JDEWSTAKAXZTOX-UHFFFAOYSA-N
• INCHI: 1S/C9H5ClOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-5H
• Isómeros SMILES: C1=CC2=C(C=C1Cl)C(=CS2)C=O
• PubChem CID: 2798771
• Peso molecular: 196.66

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: Aryl-aldehydes Benzenoids Aryl chlorides Thiophenes Heteroaromatic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzothiophene - Aryl-aldehyde - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiophene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aldehyde - 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

Propiedades químicas y físicas

• Peso molecular: 196.650 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 195.975 Da
• Monoisotopic Mass: 195.975 Da
• Topological Polar Surface Area: 45.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 185.000
• 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