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6-bromo-1-methyl-1H-indazol-5-ol - 97%, high purity , CAS No.1403767-19-0
Basic Description
Synonyms
6-bromo-1-methyl-1H-indazol-5-ol | 1403767-19-0 | 6-Bromo-5-hydroxy-1-methyl-1H-indazole | 6-bromo-1-methylindazol-5-ol | MFCD23106322 | SCHEMBL20562519 | DTXSID301301256 | AMY33967 | AKOS025290847 | PB36730 | SB10652 | 1H-Indazol-5-ol, 6-bromo-1-methyl- | AS-33808 | SY321054 | CS-0
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrazoles
Subclass
Indazoles
Intermediate Tree Nodes
Not available
Direct Parent
Indazoles
Alternative Parents
O-bromophenols 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Indazole - 2-halophenol - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - 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.
Names and Identifiers
IUPAC Name
6-bromo-1-methylindazol-5-ol
INCHI
InChI=1S/C8H7BrN2O/c1-11-7-3-6(9)8(12)2-5(7)4-10-11/h2-4,12H,1H3
InChIKey
HQZWXUJQORXMPL-UHFFFAOYSA-N
Smiles
CN1C2=CC(=C(C=C2C=N1)O)Br
Isomeric SMILES
CN1C2=CC(=C(C=C2C=N1)O)Br
Molecular Weight
227.061
Reaxy-Rn
26850114
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26850114&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
227.060 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
225.974 Da
Monoisotopic Mass
225.974 Da
Topological Polar Surface Area
38.100 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
178.000
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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