(4-(N-Methylsulfamoyl)Phenyl)Boronic Acid - ≥98%,Contains varying amounts of acid anhydrides , CAS No.226396-31-2

CAS: 226396-31-2 Cat. No.: M182971 Peso molecular: 215.04 Número EC: 690-459-9

GRADE & PURITY ≥98%, Contains varying amounts of acid anhydrides

Synonyms

FT-0629505 | J-513797 | Methyl4-Boronobenzenesulfonamide | F0001-0798 | Not available;4-(N-Methylsulfamoyl)phenylboronic Acid | 4-[(Methylamino)sulfonyl]benzene boronic acid | [4-(methylsulfamoyl)phenyl]boronic acid | AB26501 | SY028315 | DTXSID70656972 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

FT-0629505 | J-513797 | Methyl4-Boronobenzenesulfonamide | F0001-0798 | Not available;4-(N-Methylsulfamoyl)phenylboronic Acid | 4-[(Methylamino)sulfonyl]benzene boronic acid | [4-(methylsulfamoyl)phenyl]boronic acid | AB26501 | SY028315 | DTXSID70656972 |

Especificaciones y pureza

≥98%, Contains varying amounts of acid anhydrides

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: B(C1=CC=C(C=C1)S(=O)(=O)NC)(O)O
• IUPAC Name: [4-(methylsulfamoyl)phenyl]boronic acid
• InChIKey: DOQOQZHSIBBHMY-UHFFFAOYSA-N
• INCHI: 1S/C7H10BNO4S/c1-9-14(12,13)7-4-2-6(3-5-7)8(10)11/h2-5,9-11H,1H3
• Isómeros SMILES: B(C1=CC=C(C=C1)S(=O)(=O)NC)(O)O
• Peso molecular: 215.04
• Reaxy-Rn: 9699456
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9699456&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Organosulfonamides Aminosulfonyl compounds Boronic acids Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic metalloid moeity - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

Propiedades químicas y físicas

• Peso molecular: 215.040 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 215.042 Da
• Monoisotopic Mass: 215.042 Da
• Topological Polar Surface Area: 95.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 266.000
• 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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