3-Amino-4-fluorophenylboronic acid, pinacol ester - ≥97% , CAS No.1003575-43-6

CAS: 1003575-43-6 Cat. No.: A165356 Peso molecular: 237.08

GRADE & PURITY ≥97%

Synonyms

A897470 | F11395 | SCHEMBL1290153 | 3-Amino-4-fluorophenylboronic acid, pinacol ester, AldrichCPR | MB09119 | MFCD11044430 | 3-Amino-4-fluorophenylboronic acid, pinacol ester;2-Fluoro-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)aniline | VXNIVUKZNDRJBW

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A897470 | F11395 | SCHEMBL1290153 | 3-Amino-4-fluorophenylboronic acid, pinacol ester, AldrichCPR | MB09119 | MFCD11044430 | 3-Amino-4-fluorophenylboronic acid, pinacol ester;2-Fluoro-5-(4, 4, 5, 5-tetraMethyl-1, 3, 2-dioxaborolan-2-yl)aniline | VXNIVUKZNDRJBW

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488201327
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)F)N
• IUPAC Name: 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• InChIKey: VXNIVUKZNDRJBW-UHFFFAOYSA-N
• INCHI: 1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7H,15H2,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)F)N
• Peso molecular: 237.08
• Reaxy-Rn: 15616533
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15616533&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Fluorobenzenes Aryl fluorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Primary amines Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organoheterocyclic compound - Organic metalloid salt - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Propiedades químicas y físicas

• Peso molecular: 237.080 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 237.134 Da
• Monoisotopic Mass: 237.134 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 282.000
• 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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