Ethyl 3-chloro-2-fluorobenzoate - ≥97% , CAS No.773135-55-0

CAS: 773135-55-0 Cat. No.: E731423 Summenformel: C₉H₈ClFO₂ Molekulargewicht: 202.61 PubChem CID: 24820418

GRADE & PURITY ≥97%

Synonyms

Ethyl 2-fluoro-3-chloro benzoate | Ethyl3-chloro-2-fluorobenzoate

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

Ethyl 2-fluoro-3-chloro benzoate | Ethyl3-chloro-2-fluorobenzoate

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

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

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CCOC(=O)C1=C(C(=CC=C1)Cl)F

IUPAC Name

ethyl 3-chloro-2-fluorobenzoate

InChIKey

MCNAALBXEILIIB-UHFFFAOYSA-N

INCHI

1S/C9H8ClFO2/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h3-5H,2H2,1H3

Isomere SMILES

CCOC(=O)C1=C(C(=CC=C1)Cl)F

Alternative CAS-Nummer

773135-55-0

PubChem CID

24820418

Molekulargewicht

202.61

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: 3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Vinylogous halides Carboxylic acid esters Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxygen compound - Organofluoride - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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: 202.610 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.02 Da
• Monoisotopic Mass: 202.02 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 186.000
• 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