5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole - ≥97% , CAS No.862723-42-0

CAS: 862723-42-0 Cat. No.: T177714 Molecular Weight: 244.1 EC Number: 626-174-3 PubChem CID: 17750469

GRADE & PURITY ≥97%

Synonyms

AM20041259 | PB27756 | 1H-Indazole-5-boronic acid pinacol ester, 95% | SCHEMBL10475 | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole | Indazole-5-boronic acid pinacol ester | MFCD07367523 | DS-13171 | AKOS005255782 | 5-(4,4,5,5-tetramethyl-[1

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AM20041259 | PB27756 | 1H-Indazole-5-boronic acid pinacol ester, 95% | SCHEMBL10475 | 5-(4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolan-2-yl)-1H-indazole | Indazole-5-boronic acid pinacol ester | MFCD07367523 | DS-13171 | AKOS005255782 | 5-(4, 4, 5, 5-tetramethyl-[1

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488199533
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3
• IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
• InChIKey: SAGPUUKLGWNGOS-UHFFFAOYSA-N
• INCHI: 1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-5-6-11-9(7-10)8-15-16-11/h5-8H,1-4H3,(H,15,16)
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3
• WGK Germany: 3
• PubChem CID: 17750469
• Molecular Weight: 244.1

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 Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Benzenoid - Azole - Boronic acid ester - 1,3,2-dioxaborolane - Pyrazole - Heteroaromatic compound - Boronic acid derivative - Organic metalloid salt - Azacycle - Oxacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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

Chemical and Physical Properties

• Molecular Weight: 244.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 244.138 Da
• Monoisotopic Mass: 244.138 Da
• Topological Polar Surface Area: 47.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 319.000
• 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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