2-(2-Methoxyphenyl)hydrazinesulfonic acid , CAS No.773803-87-5

CAS: 773803-87-5 Cat. No.: M1005856 PubChem CID: 14765010

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=CC=C1NNS(=O)(=O)O
• IUPAC Name: (2-methoxyanilino)sulfamic acid
• InChIKey: QHBUKVYSPKKBMV-UHFFFAOYSA-N
• INCHI: 1S/C7H10N2O4S/c1-13-7-5-3-2-4-6(7)8-9-14(10,11)12/h2-5,8-9H,1H3,(H,10,11,12)
• Isómeros SMILES: COC1=CC=CC=C1NNS(=O)(=O)O
• CAS alternativo: 773803-87-5
• PubChem CID: 14765010

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyanilines
• Alternative Parents: Phenylhydrazines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organic sulfuric acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Phenylhydrazine - Methoxybenzene - Alkyl aryl ether - Organic sulfuric acid or derivatives - Ether - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy group.
• 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: 218.230 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 218.036 Da
• Monoisotopic Mass: 218.036 Da
• Topological Polar Surface Area: 96.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 261.000
• 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