Ethyl 2-(3-fluoro-4-iodophenyl)acetate - ≥95% , CAS No.1261606-34-1

CAS: 1261606-34-1 Cat. No.: E1360405 Summenformel: C₁₀H₁₀FIO₂ Molekulargewicht: 308.09 PubChem CID: 57347324

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CCOC(=O)CC1=CC(=C(C=C1)I)F
• IUPAC Name: ethyl 2-(3-fluoro-4-iodophenyl)acetate
• InChIKey: MVSKFYHLLRBZLT-UHFFFAOYSA-N
• INCHI: 1S/C10H10FIO2/c1-2-14-10(13)6-7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3
• Isomere SMILES: CCOC(=O)CC1=CC(=C(C=C1)I)F
• PubChem CID: 57347324
• Molekulargewicht: 308.09

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodobenzenes
• Alternative Parents: Fluorobenzenes Aryl iodides Aryl fluorides Carboxylic acid esters Monocarboxylic acids and derivatives Organoiodides Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Iodobenzene - Aryl fluoride - Aryl halide - Aryl iodide - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organofluoride - Organoiodide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.
• 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: 308.090 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 307.971 Da
• Monoisotopic Mass: 307.971 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 199.000
• 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