(3-Chlor-4-ethoxy-2-fluorphenyl)boronsäure - ≥98% , CAS No.909122-50-5

CAS: 909122-50-5 Cat. No.: C188030 Summenformel: C₈H₉BClFO₃ Molekulargewicht: 218.4

GRADE & PURITY ≥98%

Synonyms

SCHEMBL2880932 | 3-chloro-4-ethoxy-2-fluorophenylboronic acid | DTXSID50679922 | A860669 | AC-22300 | SY030349 | 3-CHLORO-4-ETHOXY-2-FLUOROPHENYLBORONIC ACID | (3-Chloro-4-ethoxy-2-fluorophenyl)boronicacid | MFCD15144702 | FT-0728957 | (3-Chloro-4-ethoxy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SCHEMBL2880932 | 3-chloro-4-ethoxy-2-fluorophenylboronic acid | DTXSID50679922 | A860669 | AC-22300 | SY030349 | 3-CHLORO-4-ETHOXY-2-FLUOROPHENYLBORONIC ACID | (3-Chloro-4-ethoxy-2-fluorophenyl)boronicacid | MFCD15144702 | FT-0728957 | (3-Chloro-4-ethoxy

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: B(C1=C(C(=C(C=C1)OCC)Cl)F)(O)O
• IUPAC Name: (3-chloro-4-ethoxy-2-fluorophenyl)boronic acid
• InChIKey: BSNGRABEOSVUSC-UHFFFAOYSA-N
• INCHI: 1S/C8H9BClFO3/c1-2-14-6-4-3-5(9(12)13)8(11)7(6)10/h3-4,12-13H,2H2,1H3
• Isomere SMILES: B(C1=C(C(=C(C=C1)OCC)Cl)F)(O)O
• Molekulargewicht: 218.4
• Reaxy-Rn: 14609288
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14609288&ln=

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 Chlorobenzenes Alkyl aryl ethers Aryl fluorides Aryl chlorides Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic metalloid moeity - Organochloride - Organofluoride - 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

• Molekulargewicht: 218.420 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 218.032 Da
• Monoisotopic Mass: 218.032 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 184.000
• 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

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