CAS 777061-36-6|tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate|1-Boc-5-吲哚硼酸频哪醇酯|1-Boc-5-indoleboronic acid pinacol ester|1-Boc-indole-5-boronic acid pinac...

General Information

Structure

Molecular Formula

C₁₉H₂₆BNO₄

Molecular Mass

343.22504

Exact Mass

343.19548872

Charge

InChI

InChI=1S/C19H26BNO4/c1-17(2,3)23-16(22)21-11-10-13-12-14(8-9-15(13)21)20-24-18(4,5)19(6,7)25-20/h8-12H,1-7H3

InChIKey

WPSDWNFTICAMNI-UHFFFAOYSA-N

Canonic Smiles

O=C(n1ccc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C

Isomeric Smiles

C1(C)(C)C(OB(O1)c1ccc2n(ccc2c1)C(=O)OC(C)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.9864

LogD (pH = 7.4)

4.9864

Log P

4.9864

Molar Refractivity

91.4991

Polarizability

39.16483

Polar Surface Area

49.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate1-Boc-5-indoleboronic acid pinacol ester1-Boc-5-吲哚硼酸频哪醇酯1-Boc-吲哚-5-硼酸频哪醇酯1-Boc-indole-5-boronic acid pinacol esterTERT-BUTYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)INDOLE-1-CARBOXYLATE5-(4,4,5,5-四甲基-1,3,2-二氧杂环硼戊烷-2-基)-1-Boc-吲哚5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-Boc-indole

IUPAC Traditional name

tert-butyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate

IUPAC name

tert-butyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate

Names and Identifiers

Registration numbers

CAS Number

777061-36-6

MDL Number

MFCD05663895

PubChem SID

24883088162087133