Selenophen-2-ylboronic Acid - ≥95% , CAS No.35133-86-9

CAS: 35133-86-9 Cat. No.: S1061696 Molecular Weight: 174.85 PubChem CID: 2737260

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: B(C1=CC=C[Se]1)(O)O
• IUPAC Name: selenophen-2-ylboronic acid
• InChIKey: DYEWXOXXBVEVJJ-UHFFFAOYSA-N
• INCHI: 1S/C4H5BO2Se/c6-5(7)4-2-1-3-8-4/h1-3,6-7H
• Isomeric SMILES: B(C1=CC=C[Se]1)(O)O
• PubChem CID: 2737260
• Molecular Weight: 174.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Selenophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Selenophenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Selenophenes
• Alternative Parents: Heteroaromatic compounds Boronic acids Organic metalloid salts Organoselenium compounds Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Selenophene - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organoselenium compound - Organoboron compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as selenophenes. These are organic compounds containing selenophene, a five-membered monocyclic aromatic ring composed of four C atoms and one selenium atom.
• 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: 174.870 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 175.955 Da
• Monoisotopic Mass: 175.955 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.400
• 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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