CAS 811841-45-9|2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate|2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate|2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-...

General Information

Structure

Molecular Formula

C₁₅H₂₁BO₅

Molecular Mass

292.13524

Exact Mass

292.14820417

Charge

InChI

InChI=1S/C15H21BO5/c1-10(17)19-12-8-7-11(9-13(12)18-6)16-20-14(2,3)15(4,5)21-16/h7-9H,1-6H3

InChIKey

SQWMSVLBTLTANH-UHFFFAOYSA-N

Canonic Smiles

COc1cc(ccc1OC(=O)C)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

B1(c2cc(c(cc2)OC(=O)C)OC)OC(C)(C)C(O1)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.1466

LogD (pH = 7.4)

3.1466

Log P

3.1466

Molar Refractivity

73.3087

Polarizability

30.955648

Polar Surface Area

53.99

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate4-乙酰氧基-3-甲氧基苯硼酸频哪醇酯醋酸-2-甲氧基-4-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)苯酯4-Acetoxy-3-methoxyphenylboronic acid pinacol ester2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate

IUPAC name

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

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

PubChem SID

16204007324881512

PubChem CID

2773975

CAS Number

811841-45-9