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Home > Encyclopedia > Boronic acid, (2-cyano-6-fluorophenyl)- (9CI)

Boronic acid, (2-cyano-6-fluorophenyl)- (9CI)

Boronic acid, (2-cyano-6-fluorophenyl)- (9CI) structure

Boronic acid, (2-cyano-6-fluorophenyl)- (9CI) 

structure
  • CAS No:

    656235-44-8

  • Formula:

    C7H5BFNO2

  • Chemical Name:

    Boronic acid, (2-cyano-6-fluorophenyl)- (9CI)

  • Synonyms:

    2-cyano-6-fluorophenylboronic acid;(2-cyano-6-fluorophenyl)boronic acid;Boronic acid, (2-cyano-6-fluorophenyl)-;ACMC-209nrh;SCHEMBL1668130;CTK1J6227;DTXSID80477892;KS-00000RD5;ANW-35067;MFCD09033623

Boronic acid, (2-cyano-6-fluorophenyl)- (9CI) Basic Attributes

164.9295032

165.04000

DTXSID80477892

Characteristics

64.2

1.35±0.1 g/cm3(Predicted)

Boronic acid, (2-cyano-6-fluorophenyl)- (9CI) Use and Manufacturing

Intermediate 6; ψ-Cvano^-fluorophenylboronic acid; A 500 mL 3-neck, round bottom flask, equipped with a magnetic stirring bar, addition funnel, and nitrogen gas inlet, was charged with 3-fluorobenzonitrile (10.0 g, 82.56 mmol), triisopropyl borate (28.5 mL, 23.3 g, 123.84 mmol), and 100 mL of anhydrous THF. The mixture was cooled to -50 Intermediate 6; ψ-Cvano^-fluorophenylboronic acid; A 500 mL 3-neck, round bottom flask, equipped with a magnetic stirring bar, addition funnel, and nitrogen gas inlet, was charged with 3-fluorobenzonitrile (10.0 g, 82.56 mmol), triisopropyl borate (28.5 mL, 23.3 g, 123.84 mmol), and 100 mL of anhydrous THF. The mixture was cooled to -50

Computed Properties

Molecular Weight:164.93
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:165.0397367
Monoisotopic Mass:165.0397367
Topological Polar Surface Area:64.2
Heavy Atom Count:12
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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