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· · COA & SDS available for every product · Same-day shipping on in-stock items 6-Bromoindazole - ≥98% , CAS No.79762-54-2
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
Specifications 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[ Show more
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488199558
Canonical Smiles
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)
Isomeric SMILES
C1=CC2=C(C=C1Br)NN=C2
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10424074&ln=
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class 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 Description 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.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in Methanol Melt Point(°C) 180-185°C Molecular Weight 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
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