7-Bromo-1h-indazol-5-amine - ≥95% , CAS No.953411-10-4

CAS: 953411-10-4 Cat. No.: B188655 Peso molecular: 212

GRADE & PURITY ≥95%

Synonyms

SY112561 | 7-Bromo-1H-indazol-5-amine | Z1269196016 | 7-BROMO-1H-INDAZOL-5-YLAMINE | MB06058 | MFCD08275114 | FT-0685830 | AKOS005258432 | 5-Amino-7-bromoindazole | AS-9385 | J-519103 | SCHEMBL760372 | EN300-6776564 | LSETWFZXDOPPQM-UHFFFAOYSA-N | DTXSID0

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

SY112561 | 7-Bromo-1H-indazol-5-amine | Z1269196016 | 7-BROMO-1H-INDAZOL-5-YLAMINE | MB06058 | MFCD08275114 | FT-0685830 | AKOS005258432 | 5-Amino-7-bromoindazole | AS-9385 | J-519103 | SCHEMBL760372 | EN300-6776564 | LSETWFZXDOPPQM-UHFFFAOYSA-N | DTXSID0

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504770801
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770801
• Sonrisas canónicas: C1=C(C=C(C2=C1C=NN2)Br)N
• IUPAC Name: 7-bromo-1H-indazol-5-amine
• InChIKey: LSETWFZXDOPPQM-UHFFFAOYSA-N
• INCHI: 1S/C7H6BrN3/c8-6-2-5(9)1-4-3-10-11-7(4)6/h1-3H,9H2,(H,10,11)
• Isómeros SMILES: C1=C(C=C(C2=C1C=NN2)Br)N
• Peso molecular: 212
• Reaxy-Rn: 28366405
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28366405&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: Benzenoids Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Primary amine - Organic nitrogen 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

• Sensibilidad: Light sensitive
• Peso molecular: 212.050 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 210.975 Da
• Monoisotopic Mass: 210.975 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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