Ethyl 2-Fluoro-6-methoxybenzoate - ≥95% , CAS No.773136-55-3

CAS: 773136-55-3 Cat. No.: E590146 Summenformel: C₁₀H₁₁FO₃ Molekulargewicht: 198.19 PubChem CID: 46311370

QUALITÄT & REINHEIT ≥95%

Synonyms

AKOS006294484 | Ethyl2-Fluoro-6-methoxybenzoate | DTXSID00673273 | FS-5829 | D75551 | Ethyl 2-Fluoro-6-methoxybenzoate | YFB13655 | FT-0723914

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Spezifikationen

Synonyme

AKOS006294484 | Ethyl2-Fluoro-6-methoxybenzoate | DTXSID00673273 | FS-5829 | D75551 | Ethyl 2-Fluoro-6-methoxybenzoate | YFB13655 | FT-0723914

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504770710

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770710

Kanonisches Lächeln

CCOC(=O)C1=C(C=CC=C1F)OC

IUPAC Name

ethyl 2-fluoro-6-methoxybenzoate

InChIKey

PWTGADHDRWQHRI-UHFFFAOYSA-N

INCHI

1S/C10H11FO3/c1-3-14-10(12)9-7(11)5-4-6-8(9)13-2/h4-6H,3H2,1-2H3

Isomere SMILES

CCOC(=O)C1=C(C=CC=C1F)OC

PubChem CID

46311370

Molekulargewicht

198.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Methoxybenzoic acids and derivatives
          • Ebene6 O-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: O-methoxybenzoic acids and derivatives
• Alternative Parents: Benzoic acid esters 2-halobenzoic acids and derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Vinylogous halides Carboxylic acid esters Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-methoxybenzoic acid or derivatives - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Methoxybenzene - Benzoyl - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Vinylogous halide - Carboxylic acid ester - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 198.190 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 198.069 Da
• Monoisotopic Mass: 198.069 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 196.000
• 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