Methyl 3-(2-fluorophenyl)propanoate - ≥97% , CAS No.143654-59-5

CAS: 143654-59-5 Cat. No.: M587241 Summenformel: C₁₀H₁₁FO₂ Molekulargewicht: 182.19

GRADE & PURITY ≥97%

Synonyms

AKOS000349101 | MFCD12031751 | AB9717 | BS-25577 | Methyl 2-fluorobenzenepropanoate | SY107238 | LIXJACUBEJXGIC-UHFFFAOYSA-N | DTXSID10573154 | SCHEMBL1444146 | methyl 3-(2-fluorophenyl)propionate | Methyl 3-(2-fluorophenyl)propanoate | Methyl3-(2-fluorop

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

AKOS000349101 | MFCD12031751 | AB9717 | BS-25577 | Methyl 2-fluorobenzenepropanoate | SY107238 | LIXJACUBEJXGIC-UHFFFAOYSA-N | DTXSID10573154 | SCHEMBL1444146 | methyl 3-(2-fluorophenyl)propionate | Methyl 3-(2-fluorophenyl)propanoate | Methyl3-(2-fluorop

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

Pubchem Sid

508808724

Kanonisches Lächeln

COC(=O)CCC1=CC=CC=C1F

IUPAC Name

methyl 3-(2-fluorophenyl)propanoate

InChIKey

LIXJACUBEJXGIC-UHFFFAOYSA-N

INCHI

1S/C10H11FO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3

Isomere SMILES

COC(=O)CCC1=CC=CC=C1F

Molekulargewicht

182.19

Reaxy-Rn

8615729

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8615729&ln=

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: Fluorobenzenes
• Alternative Parents: Fatty acid esters Aryl fluorides Methyl esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fatty acid ester - Fluorobenzene - Aryl fluoride - Aryl halide - Fatty acyl - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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: 182.190 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.074 Da
• Monoisotopic Mass: 182.074 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 170.000
• 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