2-(5-Chloro-2-phenoxyphenyl)acetic acid - ≥95% , CAS No.70958-20-2

CAS: 70958-20-2 Cat. No.: C186168 Peso molecular: 262.69 Número EC: 615-228-1

GRADE & PURITY ≥95%

Synonyms

SCHEMBL7400584 | Benzeneacetic acid, 5-chloro-2-phenoxy- | (5-chloro-2-phenoxyphenyl)acetic acid | (5-Chloro-2-phenoxy-phenyl)-acetic acid | FT-0681172 | J-506123 | AKOS005073388 | 5-Chloro-2-phenoxyphenylacetic acid | 2-(5-chloro-2-phenoxyphenyl)acetic a

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL7400584 | Benzeneacetic acid, 5-chloro-2-phenoxy- | (5-chloro-2-phenoxyphenyl)acetic acid | (5-Chloro-2-phenoxy-phenyl)-acetic acid | FT-0681172 | J-506123 | AKOS005073388 | 5-Chloro-2-phenoxyphenylacetic acid | 2-(5-chloro-2-phenoxyphenyl)acetic a

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)CC(=O)O
• IUPAC Name: 2-(5-chloro-2-phenoxyphenyl)acetic acid
• InChIKey: PKMKNEIUKHPJAX-UHFFFAOYSA-N
• INCHI: 1S/C14H11ClO3/c15-11-6-7-13(10(8-11)9-14(16)17)18-12-4-2-1-3-5-12/h1-8H,9H2,(H,16,17)
• Isómeros SMILES: C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)CC(=O)O
• Peso molecular: 262.69
• Reaxy-Rn: 5543328
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5543328&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Chlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organochloride - Carbonyl group - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 262.690 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 262.04 Da
• Monoisotopic Mass: 262.04 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 276.000
• 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