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Details

Stereochemistry ACHIRAL
Molecular Formula C22H24BNO5
Molecular Weight 393.241
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[3-(1,3-Dioxolan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]benzonitrile,

SMILES

CC1(C)OB(OC1(C)C)C2=CC=C(OC3=CC=C(C=C3)C#N)C=C2C4OCCO4

InChI

InChIKey=BGQYSHYWTXWBHK-UHFFFAOYSA-N
InChI=1S/C22H24BNO5/c1-21(2)22(3,4)29-23(28-21)19-10-9-17(13-18(19)20-25-11-12-26-20)27-16-7-5-15(14-24)6-8-16/h5-10,13,20H,11-12H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C22H24BNO5
Molecular Weight 393.241
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 14:44:27 GMT 2025
Edited
by admin
on Wed Apr 02 14:44:27 GMT 2025
Record UNII
6Y6Z7GY4MK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzonitrile, 4-[3-(1,3-dioxolan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-
Preferred Name English
4-[3-(1,3-Dioxolan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]benzonitrile,
Systematic Name English
Code System Code Type Description
FDA UNII
6Y6Z7GY4MK
Created by admin on Wed Apr 02 14:44:27 GMT 2025 , Edited by admin on Wed Apr 02 14:44:27 GMT 2025
PRIMARY
PUBCHEM
164512895
Created by admin on Wed Apr 02 14:44:27 GMT 2025 , Edited by admin on Wed Apr 02 14:44:27 GMT 2025
PRIMARY
CAS
2687968-75-6
Created by admin on Wed Apr 02 14:44:27 GMT 2025 , Edited by admin on Wed Apr 02 14:44:27 GMT 2025
PRIMARY