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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16BNO3
Molecular Weight 245.082
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Hydroxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

SMILES

CC1(C)OB(OC1(C)C)C2=C(O)C(=CC=C2)C#N

InChI

InChIKey=ZSPFGKYIIPZZJH-UHFFFAOYSA-N
InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-15)11(10)16/h5-7,16H,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Benzonitrile, 2-hydroxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Preferred Name English
2-Hydroxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Systematic Name English
Code System Code Type Description
PUBCHEM
72219509
Created by admin on Wed Apr 02 21:23:55 GMT 2025 , Edited by admin on Wed Apr 02 21:23:55 GMT 2025
PRIMARY
FDA UNII
TZ9VQ79ZTU
Created by admin on Wed Apr 02 21:23:55 GMT 2025 , Edited by admin on Wed Apr 02 21:23:55 GMT 2025
PRIMARY
CAS
2361216-95-5
Created by admin on Wed Apr 02 21:23:55 GMT 2025 , Edited by admin on Wed Apr 02 21:23:55 GMT 2025
PRIMARY
NIH
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