CAS 480424-93-9|N-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide|N-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide|3-Acetylaminophenylboronic acid pinacol ester|3-(4,4,5,5-Tetrame...

General Information

Structure

Molecular Formula

C₁₄H₂₀BNO₃

Molecular Mass

261.1245

Exact Mass

261.15362391

Charge

InChI

InChI=1S/C14H20BNO3/c1-10(17)16-12-8-6-7-11(9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)

InChIKey

CZFSGYCLOCCASM-UHFFFAOYSA-N

Canonic Smiles

CC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

c1c(B2OC(C(O2)(C)C)(C)C)cc(cc1)NC(=O)C

Calculated Properties

JChem

Acid pKa

14.120402

H Acceptors

H Donor

LogD (pH = 5.5)

3.2259

LogD (pH = 7.4)

3.2259

Log P

3.2259

Molar Refractivity

70.5761

Polarizability

28.876322

Polar Surface Area

47.56

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

N-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

IUPAC Traditional name

N-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

Synonyms

3-Acetylaminophenylboronic acid pinacol ester3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide3-(Acetamido)benzeneboronic acid, pinacol ester3′-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide3-Acetamidophenylboronic acid pinacol ester3′-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)退热冰3-乙酰胺基苯硼酸频哪醇酯

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties