N-(2,6-Difluoro-3-nitrophenyl)acetamide - ≥95% , CAS No.25892-08-4

CAS: 25892-08-4 Cat. No.: N183217 Peso molecular: 216.1 Número EC: 814-426-7

GRADE & PURITY ≥95%

Synonyms

DS-1043 | N-(2,6-Difluoro-3-nitrophenyl)acetamide | N-(2,6-Difluoro-3-nitro-phenyl)-acetamide | N1-(2,6-difluoro-3-nitrophenyl)acetamide | SCHEMBL10129547 | N-(2,6-Difluoro-3-nitro-phenyl) -acetamide | AMY15682 | DTXSID90381734 | A23230 | AKOS015853311 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DS-1043 | N-(2, 6-Difluoro-3-nitrophenyl)acetamide | N-(2, 6-Difluoro-3-nitro-phenyl)-acetamide | N1-(2, 6-difluoro-3-nitrophenyl)acetamide | SCHEMBL10129547 | N-(2, 6-Difluoro-3-nitro-phenyl) -acetamide | AMY15682 | DTXSID90381734 | A23230 | AKOS015853311 |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)NC1=C(C=CC(=C1F)[N+](=O)[O-])F
• IUPAC Name: N-(2,6-difluoro-3-nitrophenyl)acetamide
• InChIKey: QWZBLFXPSOQZRQ-UHFFFAOYSA-N
• INCHI: 1S/C8H6F2N2O3/c1-4(13)11-8-5(9)2-3-6(7(8)10)12(14)15/h2-3H,1H3,(H,11,13)
• Isómeros SMILES: CC(=O)NC1=C(C=CC(=C1F)[N+](=O)[O-])F
• Peso molecular: 216.1
• Reaxy-Rn: 2861958
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2861958&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Acetanilides
          • Level6 Haloacetanilides
            • Level7 O-haloacetanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Acetanilides - Haloacetanilides
• Direct Parent: O-haloacetanilides
• Alternative Parents: Nitrobenzenes N-acetylarylamines Nitroaromatic compounds Fluorobenzenes Aryl fluorides Acetamides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-haloacetanilide - N-acetylarylamine - Nitrobenzene - Nitroaromatic compound - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Acetamide - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Carbonyl group - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic zwitterion - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn ortho-substituted with a halogen atom.
• 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: 216.140 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 216.035 Da
• Monoisotopic Mass: 216.035 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 269.000
• 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