6-bromo-4-methoxy-1H-indazole - ≥97% , CAS No.885519-21-1

CAS: 885519-21-1 Cat. No.: B177956 Peso molecular: 227.061 Número EC: 806-844-3

GRADE & PURITY ≥97%

Synonyms

6-Bromo-4-methoxy-1H-indazole|885519-21-1|6-bromo-4-methoxy-2H-indazole|MFCD07781361|4-methoxy-6-bromoindazole|6-Bromo-4-methoxyindazole|SCHEMBL2008097|DTXSID70646176|IZGCREUFIOZTOM-UHFFFAOYSA-N|AMY24434|6-bromo-4-(methyloxy)-1H-indazole|AKOS016009463|PB2

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

6-Bromo-4-methoxy-1H-indazole | 885519-21-1 | 6-bromo-4-methoxy-2H-indazole | MFCD07781361 | 4-methoxy-6-bromoindazole | 6-Bromo-4-methoxyindazole | SCHEMBL2008097 | DTXSID70646176 | IZGCREUFIOZTOM-UHFFFAOYSA-N | AMY24434 | 6-bromo-4-(methyloxy)-1H-indazole | AKOS016009463 | PB2

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%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC(=CC2=C1C=NN2)Br
• IUPAC Name: 6-bromo-4-methoxy-1H-indazole
• InChIKey: IZGCREUFIOZTOM-UHFFFAOYSA-N
• INCHI: 1S/C8H7BrN2O/c1-12-8-3-5(9)2-7-6(8)4-10-11-7/h2-4H,1H3,(H,10,11)
• Isómeros SMILES: COC1=CC(=CC2=C1C=NN2)Br
• Peso molecular: 227.061
• Reaxy-Rn: 18480185
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18480185&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Anisoles Alkyl aryl ethers Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Anisole - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Heteroaromatic compound - Azole - Pyrazole - Ether - Azacycle - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
• 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: 227.060 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 225.974 Da
• Monoisotopic Mass: 225.974 Da
• Topological Polar Surface Area: 37.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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