3-(2,4-Dichlorophenylmethoxy)phenylboronic acid - ≥95% , CAS No.1256355-73-3

CAS: 1256355-73-3 Cat. No.: D180670 Fórmula: C₁₃H₁₁BCl₂O₃ Peso molecular: 296.9 PubChem CID: 43145333

GRADE & PURITY ≥95%

Synonyms

1256355-73-3 | DTXSID00655559 | [3-[(2,4-dichlorophenyl)methoxy]phenyl]boronic acid | SCHEMBL2562469 | 3-(2,4-DICHLOROPHENYLMETHOXY)PHENYLBORONIC ACID | {3-[(2,4-Dichlorophenyl)methoxy]phenyl}boronic acid | (3-((2,4-Dichlorobenzyl)oxy)phenyl)boronicacid |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1256355-73-3 | DTXSID00655559 | [3-[(2,4-dichlorophenyl)methoxy]phenyl]boronic acid | SCHEMBL2562469 | 3-(2,4-DICHLOROPHENYLMETHOXY)PHENYLBORONIC ACID | {3-[(2,4-Dichlorophenyl)methoxy]phenyl}boronic acid | (3-((2,4-Dichlorobenzyl)oxy)phenyl)boronicacid |

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

B(C1=CC(=CC=C1)OCC2=C(C=C(C=C2)Cl)Cl)(O)O

IUPAC Name

[3-[(2,4-dichlorophenyl)methoxy]phenyl]boronic acid

InChIKey

OHFVLEYVTWBNMI-UHFFFAOYSA-N

INCHI

1S/C13H11BCl2O3/c15-11-5-4-9(13(16)7-11)8-19-12-3-1-2-10(6-12)14(17)18/h1-7,17-18H,8H2

SMILES isoméricas

B(C1=CC(=CC=C1)OCC2=C(C=C(C=C2)Cl)Cl)(O)O

PubChem CID

43145333

Peso molecular

296.9

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Aryl chlorides Boronic acids Organic metalloid salts Organometalloid compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - 1,3-dichlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Boronic acid derivative - Boronic acid - Ether - Organic metalloid salt - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Organochloride - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 296.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 296.018 Da
• Monoisotopic Mass: 296.018 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 281.000
• 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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