GRADE & PURITY ≥97%

Synonyms

IGZHNWFLHSANSN-UHFFFAOYSA-N | A801159 | DTXSID90544009 | MFCD06738308 | 6-Bromo-1H-indole-2-carboxaldehyde | Z228589116 | AB26861 | 1H-Indole-2-carboxaldehyde, 6-bromo- | P10395 | NCGC00338898-01 | AB01148719-03 | W-204548 | 6-bromo-1H-indole-2-carbaldehy

Storage

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

Shipped In

Wet ice

Specifications

Sinónimos

IGZHNWFLHSANSN-UHFFFAOYSA-N | A801159 | DTXSID90544009 | MFCD06738308 | 6-Bromo-1H-indole-2-carboxaldehyde | Z228589116 | AB26861 | 1H-Indole-2-carboxaldehyde, 6-bromo- | P10395 | NCGC00338898-01 | AB01148719-03 | W-204548 | 6-bromo-1H-indole-2-carbaldehy

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

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

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=C(C=C1Br)NC(=C2)C=O
• IUPAC Name: 6-bromo-1H-indole-2-carbaldehyde
• InChIKey: IGZHNWFLHSANSN-UHFFFAOYSA-N
• INCHI: 1S/C9H6BrNO/c10-7-2-1-6-3-8(5-12)11-9(6)4-7/h1-5,11H
• Isómeros SMILES: C1=CC2=C(C=C1Br)NC(=C2)C=O
• Peso molecular: 224.05
• Reaxy-Rn: 5506175
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5506175&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Aryl-aldehydes Substituted pyrroles Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Aryl-aldehyde - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Aldehyde - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

• Sensibilidad: Light sensitive；air sensitive
• Peso molecular: 224.050 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 222.963 Da
• Monoisotopic Mass: 222.963 Da
• Topological Polar Surface Area: 32.900 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