N-(2-Bromo-4-(trifluoromethoxy)phenyl)formamide - ≥96% , CAS No.941294-53-7

CAS: 941294-53-7 Cat. No.: N1065149 Peso molecular: 284.03 PubChem CID: 26986073

GRADE & PURITY ≥96%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1OC(F)(F)F)Br)NC=O
• IUPAC Name: N-[2-bromo-4-(trifluoromethoxy)phenyl]formamide
• InChIKey: SPMBDIDHPBXCCV-UHFFFAOYSA-N
• INCHI: 1S/C8H5BrF3NO2/c9-6-3-5(15-8(10,11)12)1-2-7(6)13-4-14/h1-4H,(H,13,14)
• Isómeros SMILES: C1=CC(=C(C=C1OC(F)(F)F)Br)NC=O
• PubChem CID: 26986073
• Peso molecular: 284.03

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Phenoxy compounds Phenol ethers N-arylamides Bromobenzenes Aryl bromides Trihalomethanes Secondary carboxylic acid amides Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - Phenoxy compound - N-arylamide - Phenol ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Trihalomethane - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Halomethane - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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: 284.030 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 282.946 Da
• Monoisotopic Mass: 282.946 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 224.000
• 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