6-Bromoindazole - ≥98% , CAS No.79762-54-2

CAS: 79762-54-2 Cat. No.: B152362 Fórmula: C₇H₅BrN₂ Peso molecular: 197.04 Número EC: 626-742-0

CALIDAD & PUREZA ≥98%

Synonyms

6-Bromo-2H-indazole|NOREPINEPHRINE D-BITARTRATE [MI]|6-bromo-1-H-indazole|6-bromo-1H-indazole|1H-Indazole, 6-bromo-|1H-INDAZOLE,6-BROMO-|2-propenamide, n-[(3-chlorophenyl)methyl]-|2-PROPEN-1-ONE, 1-(4-((4-((3,4-DICHLORO-2-FLUOROPHENYL)AMINO)-7-METHOXY-6-QUINAZOLINYL)OXY)-1-PIPERIDINYL)-|(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile phosphate|6-bromanyl-1H-indazole|6-Bromoindazole

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

6-Bromo-2H-indazole | NOREPINEPHRINE D-BITARTRATE [MI] | 6-bromo-1-H-indazole | 6-bromo-1H-indazole | 1H-Indazole, 6-bromo- | 1H-INDAZOLE,6-BROMO- | 2-propenamide, n-[(3-chlorophenyl)methyl]- | 2-PROPEN-1-ONE, 1-(4-((4-((3,4-DICHLORO-2-FLUOROPHENYL)AMINO)-7-METHOXY-6-QUINAZOLINYL)OXY)-1-PIPERIDINYL)- | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[ Show more

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488199558

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199558

Sonrisas canónicas

C1=CC2=C(C=C1Br)NN=C2

IUPAC Name

6-bromo-1H-indazole

InChIKey

WMKDUJVLNZANRN-UHFFFAOYSA-N

INCHI

1S/C7H5BrN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)

Isómeros SMILES

C1=CC2=C(C=C1Br)NN=C2

WGK Alemania

3

Peso molecular

197.04

Reaxy-Rn

10424074

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10424074&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 Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indazole - Benzopyrazole - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen 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

Objetivos asociados (humanos)

METAP2 Tchem Methionine aminopeptidase 2 (1512 Activities)

Discover Target: METAP2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NOS1 Tchem Nitric-oxide synthase, brain (1786 Activities)

Discover Target: NOS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 180-185°C
• Peso molecular: 197.030 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 195.964 Da
• Monoisotopic Mass: 195.964 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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