1-Bromo-3-fluoro-5-pyrrolidinobenzene - ≥98% , CAS No.1199773-24-4

CAS: 1199773-24-4 Cat. No.: B180056 Peso molecular: 244.1

GRADE & PURITY ≥98%

Synonyms

Z1269112430 | 1-(3-Bromo-5-fluorophenyl)pyrrolidine | AKOS015835382 | AM86386 | EN300-3545963 | N11548 | 1-Bromo-3-fluoro-5-pyrrolidinobenzene | A892372 | BS-20031 | MFCD13195637 | 1199773-24-4 | DTXSID60681475 | SCHEMBL12496993 | Pyrrolidine, 1-(3-bromo-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Z1269112430 | 1-(3-Bromo-5-fluorophenyl)pyrrolidine | AKOS015835382 | AM86386 | EN300-3545963 | N11548 | 1-Bromo-3-fluoro-5-pyrrolidinobenzene | A892372 | BS-20031 | MFCD13195637 | 1199773-24-4 | DTXSID60681475 | SCHEMBL12496993 | Pyrrolidine, 1-(3-bromo-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CCN(C1)C2=CC(=CC(=C2)Br)F
• IUPAC Name: 1-(3-bromo-5-fluorophenyl)pyrrolidine
• InChIKey: KYLDQIFHZFNDFI-UHFFFAOYSA-N
• INCHI: 1S/C10H11BrFN/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4H2
• Isómeros SMILES: C1CCN(C1)C2=CC(=CC(=C2)Br)F
• Peso molecular: 244.1
• Reaxy-Rn: 22884716
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22884716&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Pyrroles Azacyclic compounds Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylpyrrolidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Pyrrole - Tertiary amine - Azacycle - Organofluoride - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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: 244.100 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 243.006 Da
• Monoisotopic Mass: 243.006 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 170.000
• 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