(3-Fluoro-4-methoxy-phenyl) hydrazine hydrochloride , CAS No.220527-84-4

CAS: 220527-84-4 Cat. No.: F1258994 EC Number: 166-612-6 PubChem CID: 44203039

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: COC1=C(C=C(C=C1)NN)F.Cl
• IUPAC Name: (3-fluoro-4-methoxyphenyl)hydrazine;hydrochloride
• InChIKey: CZBBSMVGFZLCEQ-UHFFFAOYSA-N
• INCHI: 1S/C7H9FN2O.ClH/c1-11-7-3-2-5(10-9)4-6(7)8;/h2-4,10H,9H2,1H3;1H
• Isomeric SMILES: COC1=C(C=C(C=C1)NN)F.Cl
• Alternate CAS: 220527-84-4
• PubChem CID: 44203039

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyanilines
• Alternative Parents: Phenylhydrazines Phenoxy compounds Methoxybenzenes Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organonitrogen compounds Organofluorides Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenylhydrazine - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Ether - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 192.620 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 192.047 Da
• Monoisotopic Mass: 192.047 Da
• Topological Polar Surface Area: 47.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 123.000
• 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: 2

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