Benzo[c][1,2,5]oxadiazole-5-boronic acid(contains varying amounts of anhydride) - ≥97% , CAS No.426268-09-9

CAS: 426268-09-9 Cat. No.: B184488 Peso molecular: 163.93

GRADE & PURITY ≥97%

Synonyms

5-Benzo[c][1,2,5]oxadiazoleboronic Acid | SCHEMBL439914 | EN300-151216 | (2,1,3-BENZOXADIAZOL-5-YL)BORONIC ACID | AB30565 | MFCD07186239 | BDBM50266946 | AKOS004116042 | benzo[1,2,5]oxadiazol-5-yl-boronic acid | B-2,1,3-benzoxadiazol-5-yl-boronic acid | 5

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

5-Benzo[c][1, 2, 5]oxadiazoleboronic Acid | SCHEMBL439914 | EN300-151216 | (2, 1, 3-BENZOXADIAZOL-5-YL)BORONIC ACID | AB30565 | MFCD07186239 | BDBM50266946 | AKOS004116042 | benzo[1, 2, 5]oxadiazol-5-yl-boronic acid | B-2, 1, 3-benzoxadiazol-5-yl-boronic acid | 5

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: B(C1=CC2=NON=C2C=C1)(O)O
• IUPAC Name: 2,1,3-benzoxadiazol-5-ylboronic acid
• InChIKey: CHYMBQMSEFLESI-UHFFFAOYSA-N
• INCHI: 1S/C6H5BN2O3/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3,10-11H
• Isómeros SMILES: B(C1=CC2=NON=C2C=C1)(O)O
• Peso molecular: 163.93
• Reaxy-Rn: 9046843
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9046843&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxadiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxadiazoles
• Alternative Parents: Benzenoids Heteroaromatic compounds Furazans Boronic acids Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxadiazole - Benzenoid - Azole - Furazan - Oxadiazole - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 163.930 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 164.039 Da
• Monoisotopic Mass: 164.039 Da
• Topological Polar Surface Area: 79.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• 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

XLogP3