(Perfluorocyclohexyl)methyl acrylate - ≥96%, stabilized with 100ppm 4-methoxyphenol , CAS No.40677-94-9

CAS: 40677-94-9 Cat. No.: M700859 Peso molecular: 366.12 PubChem CID: 2776049

GRADE & PURITY ≥96%, stabilized with 100ppm 4-methoxyphenol

Storage

Room temperature

Specifications

Especificaciones y pureza

≥96%, stabilized with 100ppm 4-methoxyphenol

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: C=CC(=O)OCC1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F
• IUPAC Name: (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl prop-2-enoate
• InChIKey: OZGWOALFBHODRB-UHFFFAOYSA-N
• INCHI: 1S/C10H5F11O2/c1-2-4(22)23-3-5(11)6(12,13)8(16,17)10(20,21)9(18,19)7(5,14)15/h2H,1,3H2
• Isómeros SMILES: C=CC(=O)OCC1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F
• PubChem CID: 2776049
• Peso molecular: 366.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Alkyl halides
• Subclass: Cyclohexyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexyl halides
• Alternative Parents: Acrylic acid esters Enoate esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Acrylic acid ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Acrylic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Alkyl fluoride - Organooxygen compound - Organofluoride - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an 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: 366.130 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 366.011 Da
• Monoisotopic Mass: 366.011 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 495.000
• 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