Ethyl 2-(2,3-dichlorophenyl)-2,2-difluoroacetate - ≥97% , CAS No.1199773-04-0

CAS: 1199773-04-0 Cat. No.: E180045 分子式: C₁₀H₈Cl₂F₂O₂ 分子量: 269.1

GRADE & PURITY ≥97%

Synonyms

AKOS011682264 | ETHYL 2-(2,3-DICHLOROPHENYL)-2,2-DIFLUOROACETATE | Benzeneacetic acid, 2,3-dichloro-alpha,alpha-difluoro-, ethyl ester | DTXSID50681303 | MFCD13195686 | Ethyl2-(2,3-dichlorophenyl)-2,2-difluoroacetate | SCHEMBL23374546 | 1199773-04-0 | Eth

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AKOS011682264 | ETHYL 2-(2,3-DICHLOROPHENYL)-2,2-DIFLUOROACETATE | Benzeneacetic acid, 2,3-dichloro-alpha,alpha-difluoro-, ethyl ester | DTXSID50681303 | MFCD13195686 | Ethyl2-(2,3-dichlorophenyl)-2,2-difluoroacetate | SCHEMBL23374546 | 1199773-04-0 | Eth

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

カノニカル・スマイル

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

IUPAC Name

ethyl 2-(2,3-dichlorophenyl)-2,2-difluoroacetate

InChIKey

FMQWWLXSJWBVAJ-UHFFFAOYSA-N

INCHI

1S/C10H8Cl2F2O2/c1-2-16-9(15)10(13,14)6-4-3-5-7(11)8(6)12/h3-5H,2H2,1H3

異性体SMILES

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

分子量

269.1

Reaxy-Rn

23549350

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23549350&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Aryl chloride - Aryl halide - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

化学的性質と物理的性質

• 分子量: 269.070 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 267.987 Da
• Monoisotopic Mass: 267.987 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 261.000
• 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