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

CAS: 14088-98-3 Cat. No.: C190844 Formule: C₉H₉ClN₂O Poids moléculaire: 196.63

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Sourires canoniques

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)

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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