Pyrisoxazole - Moligand™,≥95%,Mixture of cis-/trans-Isomers , CAS No.847749-37-5

CAS: 847749-37-5 Cat. No.: P1281239 Peso molecular: 288.77

GRADE & PURITY Moligand™, ≥95%, Mixture of cis-/trans-Isomers

Synonyms

SYP-Z048 | 3-[5-(4-Chlorophenyl)-2,3-dimethyl-3-isoxazolidinyl]pyridine | Dingjunezuo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

SYP-Z048 | 3-[5-(4-Chlorophenyl)-2, 3-dimethyl-3-isoxazolidinyl]pyridine | Dingjunezuo

Especificaciones y pureza

Moligand™, ≥95%, Mixture of cis-/trans-Isomers

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1(CC(ON1C)C2=CC=C(C=C2)Cl)C3=CN=CC=C3
• IUPAC Name: 5-(4-chlorophenyl)-2,3-dimethyl-3-pyridin-3-yl-1,2-oxazolidine
• InChIKey: DHTJFQWHCVTNRY-UHFFFAOYSA-N
• INCHI: 1S/C16H17ClN2O/c1-16(13-4-3-9-18-11-13)10-15(20-19(16)2)12-5-7-14(17)8-6-12/h3-9,11,15H,10H2,1-2H3
• Isómeros SMILES: CC1(CC(ON1C)C2=CC=C(C=C2)Cl)C3=CN=CC=C3
• CAS alternativo: 847749-37-5
• Peso molecular: 288.77

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolidines
      • Subclass Isoxazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolidines
• Subclass: Isoxazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylisoxazolidines
• Alternative Parents: Chlorobenzenes Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Oxacyclic compounds N-organohydroxylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylisoxazolidine - Chlorobenzene - Halobenzene - Aryl halide - Benzenoid - Pyridine - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Oxacycle - Azacycle - N-organohydroxylamine - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylisoxazolidines. These are heterocyclic compounds containing an isoxazolidine conjugated by a phenyl group.
• External Descriptors: pyridines - monochlorobenzenes - oxazolidines

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: 288.770 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 288.103 Da
• Monoisotopic Mass: 288.103 Da
• Topological Polar Surface Area: 25.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 332.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1