1H-Indazole-5-boronic acid - ≥95% , CAS No.338454-14-1

CAS: 338454-14-1 Cat. No.: I169688 Molecular Weight: 161.95 EC Number: 683-693-8

GRADE & PURITY ≥95%

Synonyms

1H-indazol-5-ylboronic acid | DTXSID40590551 | J-500185 | AKOS005255244 | SCHEMBL23786 | DS-11210 | 1H-INDAZOLE-5-BORONICACID | Boronic acid, B-1H-indazol-5-yl- | A25134 | (2H-Indazol-5-yl)boronic acid | J-300050 | MFCD06739151 | PB30851 | SY020865 | (1H-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1H-indazol-5-ylboronic acid | DTXSID40590551 | J-500185 | AKOS005255244 | SCHEMBL23786 | DS-11210 | 1H-INDAZOLE-5-BORONICACID | Boronic acid, B-1H-indazol-5-yl- | A25134 | (2H-Indazol-5-yl)boronic acid | J-300050 | MFCD06739151 | PB30851 | SY020865 | (1H-

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504768619
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768619
• Canonical Smiles: B(C1=CC2=C(C=C1)NN=C2)(O)O
• IUPAC Name: 1H-indazol-5-ylboronic acid
• InChIKey: CLVPGJWAMIADSY-UHFFFAOYSA-N
• INCHI: 1S/C7H7BN2O2/c11-8(12)6-1-2-7-5(3-6)4-9-10-7/h1-4,11-12H,(H,9,10)
• Isomeric SMILES: B(C1=CC2=C(C=C1)NN=C2)(O)O
• WGK Germany: 1
• Molecular Weight: 161.95
• Reaxy-Rn: 10155987
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10155987&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrazoles
      • Subclass Indazoles

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 175-180°C
• Molecular Weight: 161.960 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.06 Da
• Monoisotopic Mass: 162.06 Da
• Topological Polar Surface Area: 69.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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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