Nsc190488 , CAS No.403-97-4

CAS: 403-97-4 Cat. No.: N1269089 Summenformel: C₁₆H₁₃ClF₃NO₂ Molekulargewicht: 343.73 EG-Nummer: 668-179-3

Storage

Room temperature

Shipped In

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Specifications

Storage

Room temperature

Verschickt in

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Namen und Kennungen

• Kanonisches Lächeln: CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F
• IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
• InChIKey: PXOAPXKYVHUJCO-UHFFFAOYSA-N
• INCHI: 1S/C16H13ClF3NO2/c1-10-7-12(17)5-6-14(10)23-9-15(22)21-13-4-2-3-11(8-13)16(18,19)20/h2-8H,9H2,1H3,(H,21,22)
• Molekulargewicht: 343.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Anilides Phenoxy compounds Phenol ethers N-arylamides Toluenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Alkyl fluorides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Anilide - Phenoxy compound - N-arylamide - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Organooxygen compound - Alkyl fluoride - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 343.730 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 343.059 Da
• Monoisotopic Mass: 343.059 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 405.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 403-97-4, the molecular formula is C16H13ClF3NO2, and the molecular weight is 343.73 g/mol. InChIKey PXOAPXKYVHUJCO-UHFFFAOYSA-N.

What documentation is provided?

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