2-(3-((3-Fluorobenzyl)oxy)phenyl)acetic acid - ≥97% , CAS No.902836-26-4

CAS: 902836-26-4 Cat. No.: O726401 Summenformel: C₁₅H₁₃FO₃ Molekulargewicht: 260.26

QUALITÄT & REINHEIT ≥97%

Synonyms

3-[(3-Fluorophenyl)methoxy]benzeneacetic acid | 2-(3-((3-Fluorobenzyl)oxy)phenyl)acetic acid | [3-(3-FLUORO-BENZYLOXY)-PHENYL]-ACETIC ACID | Benzeneacetic acid, 3-[(3-fluorophenyl)methoxy]-

Storage

Room temperature,Desiccated

Shipped In

Normal

Spezifikationen

Synonyme

3-[(3-Fluorophenyl)methoxy]benzeneacetic acid | 2-(3-((3-Fluorobenzyl)oxy)phenyl)acetic acid | [3-(3-FLUORO-BENZYLOXY)-PHENYL]-ACETIC ACID | Benzeneacetic acid, 3-[(3-fluorophenyl)methoxy]-

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=CC(=C1)OCC2=CC(=CC=C2)F)CC(=O)O

IUPAC Name

2-[3-[(3-fluorophenyl)methoxy]phenyl]acetic acid

InChIKey

BNMQCGBGOFGWLL-UHFFFAOYSA-N

INCHI

1S/C15H13FO3/c16-13-5-1-4-12(7-13)10-19-14-6-2-3-11(8-14)9-15(17)18/h1-8H,9-10H2,(H,17,18)

Isomere SMILES

C1=CC(=CC(=C1)OCC2=CC(=CC=C2)F)CC(=O)O

Alternative CAS-Nummer

902836-26-4

Molekulargewicht

260.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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

• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 260.260 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 260.085 Da
• Monoisotopic Mass: 260.085 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 295.000
• 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