6-Bromo-3(2H)-benzofuranone - ≥98% , CAS No.201809-69-0

CAS: 201809-69-0 Cat. No.: B345519 Peso molecular: 213.03 Número EC: 807-732-7

GRADE & PURITY ≥98%

Synonyms

FT-0647682 | SY033914 | 6-BROMO-1-BENZOFURAN-3(2H)-ONE | 6-Bromobenzo[b]furan-3(2H)-one | AKOS015915084 | AB45183 | 3(2H)-Benzofuranone, 6-bromo- | Z1269152090 | 6-Bromobenzofuran-3(2H)-one | MFCD08437617 | SB35168 | AC-31641 | SCHEMBL1429041 | 6-BROMO-2H

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

FT-0647682 | SY033914 | 6-BROMO-1-BENZOFURAN-3(2H)-ONE | 6-Bromobenzo[b]furan-3(2H)-one | AKOS015915084 | AB45183 | 3(2H)-Benzofuranone, 6-bromo- | Z1269152090 | 6-Bromobenzofuran-3(2H)-one | MFCD08437617 | SB35168 | AC-31641 | SCHEMBL1429041 | 6-BROMO-2H

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1C(=O)C2=C(O1)C=C(C=C2)Br
• IUPAC Name: 6-bromo-1-benzofuran-3-one
• InChIKey: CJEHZCSKQCWMJL-UHFFFAOYSA-N
• INCHI: 1S/C8H5BrO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3H,4H2
• Isómeros SMILES: C1C(=O)C2=C(O1)C=C(C=C2)Br
• Peso molecular: 213.03
• Reaxy-Rn: 19690227
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19690227&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: Coumarans Aryl alkyl ketones Alkyl aryl ethers Benzenoids Aryl bromides Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumaran - Benzofuran - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Ketone - Oxacycle - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• 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: 213.030 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 211.947 Da
• Monoisotopic Mass: 211.947 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 181.000
• 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