Potassium trifluoro(3-((4-nitrophenyl)amino)-3-oxopropyl)borate - ≥95% , CAS No.1705578-36-4

CAS: 1705578-36-4 Cat. No.: P937605 Peso molecular: 300.090

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: [B-](CCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro-[3-(4-nitroanilino)-3-oxopropyl]boranuide
• InChIKey: GTCSRCAYSBQCTB-UHFFFAOYSA-N
• INCHI: 1S/C9H9BF3N2O3.K/c11-10(12,13)6-5-9(16)14-7-1-3-8(4-2-7)15(17)18;/h1-4H,5-6H2,(H,14,16);/q-1;+1
• Peso molecular: 300.090

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Anilides Nitroaromatic compounds N-arylamides Secondary carboxylic acid amides Alkylhaloboranes Boronic acid derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metalloid salts Organic metal halides Monoalkylboranes Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic potassium salts Organic zwitterions
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Boronic acid derivative - Carboxamide group - C-nitro compound - Alkylhaloborane - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Organic metal halide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic metalloid salt - Organic alkali metal salt - Organic zwitterion - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Monoalkylborane - Organic salt - Organic potassium salt - Hydrocarbon derivative - Alkylborane - Organic metalloid moeity - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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: 300.090 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 300.03 Da
• Monoisotopic Mass: 300.03 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 311.000
• 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: 2

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