CAS 171364-80-0|CAS 480424-70-2|4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate|4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate|4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acet...

General Information

Structure

Molecular Formula

C₁₄H₁₉BO₄

Molecular Mass

262.10926

Exact Mass

262.13763949

Charge

InChI

InChI=1S/C14H19BO4/c1-10(16)17-12-8-6-11(7-9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3

InChIKey

KHBAJCWEQNVCSN-UHFFFAOYSA-N

Canonic Smiles

CC(=O)Oc1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

O=C(Oc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.3993

LogD (pH = 7.4)

3.3993

Log P

3.3993

Molar Refractivity

66.8455

Polarizability

28.42526

Polar Surface Area

44.76

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate4-乙酰氧基苯硼酸频哪醇酯醋酸-4-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)苯酯4-Acetoxyphenylboronic acid pinacol ester4-(Methoxycarbonyl)benzeneboronic acid pinacol ester4-(Methoxycarbonyl)phenylboronic acid pinacol ester4-(甲氧羰基) 苯硼酸频哪酯4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester

IUPAC name

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate

IUPAC Traditional name

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate

Names and Identifiers

Registration numbers

MDL Number

MFCD02179438MFCD03453060

CAS Number

171364-80-0480424-70-2

PubChem SID

16204009324880534