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(2-methyl-2H-indazol-7-yl)boronic acid - 97%, high purity , CAS No.1001907-58-9
Basic Description
Synonyms
1001907-58-9 | 2-METHYLINDAZOLE-7-BORONIC ACID | (2-methyl-2H-indazol-7-yl)boronic acid | (2-methylindazol-7-yl)boronic acid | 2-METHYL-2H-INDAZOLE-7-BORONIC ACID | Boronic acid, B-(2-methyl-2H-indazol-7-yl)- | (2-methyl-2H-indazol-7-yl)boronicacid | SCHEMBL14725622 | DT
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
Benzenoids Pyrazoles Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Indazole - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Organic metalloid salt - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen 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
(2-methylindazol-7-yl)boronic acid
INCHI
InChI=1S/C8H9BN2O2/c1-11-5-6-3-2-4-7(9(12)13)8(6)10-11/h2-5,12-13H,1H3
InChIKey
PNVSRHLDCRSFAZ-UHFFFAOYSA-N
Smiles
B(C1=CC=CC2=CN(N=C12)C)(O)O
Isomeric SMILES
B(C1=CC=CC2=CN(N=C12)C)(O)O
Molecular Weight
175.98
Reaxy-Rn
38015425
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38015425&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
175.980 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
176.076 Da
Monoisotopic Mass
176.076 Da
Topological Polar Surface Area
58.300 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
191.000
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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