1-(4-Chlorophenyl)cyclopropanecarboxamide - ≥98% , CAS No.133284-47-6

CAS: 133284-47-6 Cat. No.: C1012945 Fórmula: C₁₀H₁₀ClNO Peso molecular: 195.646 PubChem CID: 19973097

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

C1CC1(C2=CC=C(C=C2)Cl)C(=O)N

IUPAC Name

1-(4-chlorophenyl)cyclopropane-1-carboxamide

InChIKey

VBXQDCQEXJOOHO-UHFFFAOYSA-N

INCHI

1S/C10H10ClNO/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H2,12,13)

SMILES isoméricas

C1CC1(C2=CC=C(C=C2)Cl)C(=O)N

PubChem CID

19973097

Peso molecular

195.646

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Chlorobenzenes Cyclopropanecarboxylic acids and derivatives Aryl chlorides Primary carboxylic acid amides Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Cyclopropanecarboxylic acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 195.640 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 195.045 Da
• Monoisotopic Mass: 195.045 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 217.000
• 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