CAS 480424-94-0|N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide|N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide|N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formami...

General Information

Structure

Molecular Formula

C₁₃H₁₈BNO₃

Molecular Mass

247.09792

Exact Mass

247.13797384

Charge

InChI

InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-5-7-11(8-6-10)15-9-16/h5-9H,1-4H3,(H,15,16)

InChIKey

CDYFHMUSLGPPMI-UHFFFAOYSA-N

Canonic Smiles

O=CNc1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

N(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C=O

Calculated Properties

JChem

Acid pKa

14.260356

H Acceptors

H Donor

LogD (pH = 5.5)

3.1245

LogD (pH = 7.4)

3.1245

Log P

3.1245

Molar Refractivity

66.0856

Polarizability

27.035345

Polar Surface Area

47.56

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide

IUPAC Traditional name

N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide

Synonyms

N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide4-(甲酰胺基)苯硼酸频哪醇酯N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide4-甲酰氨基苯基硼酸频哪醇酯N-[4-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)苯基]甲酰胺4-Formamidophenylboronic acid pinacol ester4-(Formylamino)phenylboronic acid pinacol ester

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

PubChem CID

MDL Number

Registration numbers

Properties