CAS 269409-99-6|ethyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|ethyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|2-Ethoxycarb...

General Information

Structure

Molecular Formula

C₁₅H₂₁BO₄

Molecular Mass

276.13584

Exact Mass

276.15328955

Charge

InChI

InChI=1S/C15H21BO4/c1-6-18-13(17)11-9-7-8-10-12(11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3

InChIKey

RFBZWPFBCXBBJS-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)c1ccccc1B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

B1(c2c(cccc2)C(=O)OCC)OC(C(O1)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.3905

LogD (pH = 7.4)

4.3905

Log P

4.3905

Molar Refractivity

72.487

Polarizability

30.260803

Polar Surface Area

44.76

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

ethyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Synonyms

Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate2-Ethoxycarbonylphenylboronic acid pinacol ester2-乙氧羰基苯硼酸频哪醇酯2-ETHOXYCARBONYLPHENYLBORONIC ACID PINACOL ESTER2-Carboethoxyphenylboronic acid pinacol ester2-(4,4,5,5-四甲基-1,3,2-二氧硼戊烷-2-基)苯甲酸乙酯2-碳乙氧基苯硼酸频哪醇酯Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid ethyl ester2-(Ethoxycarbonyl)phenylboronic acid pinacol ester2-(Ethoxycarbonyl)benzeneboronic acid pinacol ester

IUPAC Traditional name

ethyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

MDL Number

CAS Number