U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H12BrNO3
Molecular Weight 346.175
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile

SMILES

BrC1=CC=C(OC2=C(C=CC=C2)C#N)C=C1C3OCCO3

InChI

InChIKey=XSQUKMLVSUUROX-UHFFFAOYSA-N
InChI=1S/C16H12BrNO3/c17-14-6-5-12(9-13(14)16-19-7-8-20-16)21-15-4-2-1-3-11(15)10-18/h1-6,9,16H,7-8H2

HIDE SMILES / InChI

Molecular Formula C16H12BrNO3
Molecular Weight 346.175
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 Sat Dec 16 19:27:31 GMT 2023
Edited
by admin
on Sat Dec 16 19:27:31 GMT 2023
Record UNII
F3BB5G8QSF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile
Systematic Name English
Benzonitrile, 2-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-
Systematic Name English
Code System Code Type Description
PUBCHEM
164512918
Created by admin on Sat Dec 16 19:27:31 GMT 2023 , Edited by admin on Sat Dec 16 19:27:31 GMT 2023
PRIMARY
FDA UNII
F3BB5G8QSF
Created by admin on Sat Dec 16 19:27:31 GMT 2023 , Edited by admin on Sat Dec 16 19:27:31 GMT 2023
PRIMARY
CAS
1217366-73-8
Created by admin on Sat Dec 16 19:27:31 GMT 2023 , Edited by admin on Sat Dec 16 19:27:31 GMT 2023
PRIMARY