CAS 871125-83-6|7-Chloroquinoline-4-boronic acid, pinacol ester 90%|7-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline|7-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline|7-chlo...

General Information

Structure

Molecular Formula

C₁₅H₁₇BClNO₂

Molecular Mass

289.56498

Exact Mass

289.10408687

Charge

InChI

InChI=1S/C15H17BClNO2/c1-14(2)15(3,4)20-16(19-14)12-7-8-18-13-9-10(17)5-6-11(12)13/h5-9H,1-4H3

InChIKey

GZDUYRAAWRRVEY-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc2c(c1)nccc2B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

n1ccc(c2ccc(cc12)Cl)B1OC(C(O1)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.507784

LogD (pH = 7.4)

4.5077996

Log P

4.5078

Molar Refractivity

74.4392

Polarizability

32.491222

Polar Surface Area

31.35

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

7-Chloroquinoline-4-boronic acid, pinacol ester 90%7-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline7-Chloroquinoline-4-boronic acid pinacol ester7-氯喹啉-4-硼酸频哪醇酯7-氯-4-(4,4,5,5-四甲基-1,3,2-二氧杂戊硼烷-2-基)喹啉

IUPAC Traditional name

7-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

IUPAC name

7-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

Names and Identifiers

Registration numbers

MDL Number

MFCD07783020

CAS Number

871125-83-6

PubChem CID

16218076