2-(3-fluorophenyl)acetohydrazide , CAS No.341009-94-7

CAS: 341009-94-7 Cat. No.: F669672 Fórmula: C₈H₉FN₂O Peso molecular: 168.17 PubChem CID: 12289202

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Propiedades del producto

• ALogP: 0.7

Nombres e identificadores

• Sonrisas canónicas: NNC(=O)CC1=CC(F)=CC=C1
• IUPAC Name: 2-(3-fluorophenyl)acetohydrazide
• InChIKey: FJKYRKLTOUUAFO-UHFFFAOYSA-N
• INCHI: 1S/C8H9FN2O/c9-7-3-1-2-6(4-7)5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
• Isómeros SMILES: C1=CC(=CC(=C1)F)CC(=O)NN
• PubChem CID: 12289202
• Peso molecular: 168.17

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Fluorobenzenes Aryl fluorides Carboxylic acid hydrazides Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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: 168.170 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.07 Da
• Monoisotopic Mass: 168.07 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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