1-(3-Chlorophenyl)imidazolidin-2-one - ≥98% , CAS No.14088-98-3

CAS: 14088-98-3 Cat. No.: C190844 Fórmula: C₉H₉ClN₂O Peso molecular: 196.63

GRAU & PUREZA ≥98%

Synonyms

3-chlorophenyl-imidazolidinone|1-(3-Chlorophenyl)-4,5-dihydro-1H-imidazol-2-ol|1-(3-Chlorophenyl)imidazolidin-2-one|1-(3-Chlorophenyl)-2-imidazolidinone|2-Imidazolidinone, 1-(3-chlorophenyl)-|1-(m-chlorophenyl)-2-imidazolidinone

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

3-chlorophenyl-imidazolidinone | 1-(3-Chlorophenyl)-4,5-dihydro-1H-imidazol-2-ol | 1-(3-Chlorophenyl)imidazolidin-2-one | 1-(3-Chlorophenyl)-2-imidazolidinone | 2-Imidazolidinone, 1-(3-chlorophenyl)- | 1-(m-chlorophenyl)-2-imidazolidinone

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

C1CN(C(=O)N1)C2=CC(=CC=C2)Cl

IUPAC Name

1-(3-chlorophenyl)imidazolidin-2-one

InChIKey

XQRTVHGPSVYJAS-UHFFFAOYSA-N

INCHI

1S/C9H9ClN2O/c10-7-2-1-3-8(6-7)12-5-4-11-9(12)13/h1-3,6H,4-5H2,(H,11,13)

SMILES isoméricas

C1CN(C(=O)N1)C2=CC(=CC=C2)Cl

Peso molecular

196.63

Reaxy-Rn

612262

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=612262&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylimidazolidines
• Alternative Parents: Chlorobenzenes Imidazolidinones Aryl chlorides Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylimidazolidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Urea - Carbonic acid derivative - Azacycle - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl 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

Propriedades químicas e físicas

• Peso molecular: 196.630 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 196.04 Da
• Monoisotopic Mass: 196.04 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 210.000
• 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