N-(4-Bromo-2-fluorobenzoyl)morpholine - ≥98% , CAS No.924642-61-5

CAS: 924642-61-5 Cat. No.: N188300 Peso molecular: 288.1

GRADE & PURITY ≥98%

Synonyms

AKOS000189904 | SCHEMBL968813 | E90320 | (4-Bromo-2-fluorophenyl)(morpholino)methanone | (4-Bromo-2-fluoro-phenyl)-morpholin-4-yl-methanone | (4-bromo-2-fluorophenyl)-morpholin-4-ylmethanone | DTXSID90640914 | (4-Bromo-2-fluorophenyl)(morpholin-4-yl)metha

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS000189904 | SCHEMBL968813 | E90320 | (4-Bromo-2-fluorophenyl)(morpholino)methanone | (4-Bromo-2-fluoro-phenyl)-morpholin-4-yl-methanone | (4-bromo-2-fluorophenyl)-morpholin-4-ylmethanone | DTXSID90640914 | (4-Bromo-2-fluorophenyl)(morpholin-4-yl)metha

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1COCCN1C(=O)C2=C(C=C(C=C2)Br)F
• IUPAC Name: (4-bromo-2-fluorophenyl)-morpholin-4-ylmethanone
• InChIKey: NDBNMLDNDQYRTJ-UHFFFAOYSA-N
• INCHI: 1S/C11H11BrFNO2/c12-8-1-2-9(10(13)7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
• Isómeros SMILES: C1COCCN1C(=O)C2=C(C=C(C=C2)Br)F
• Peso molecular: 288.1
• Reaxy-Rn: 15439811
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15439811&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: 2-halobenzoic acids and derivatives Morpholine carboxylic acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Bromobenzenes Aryl bromides Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Morpholine-4-carboxylic acid or derivatives - Benzoyl - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Oxazinane - Morpholine - Vinylogous halide - Tertiary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
• 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: 288.110 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 286.996 Da
• Monoisotopic Mass: 286.996 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 258.000
• 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