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Details

Stereochemistry ACHIRAL
Molecular Formula C14H10BrNO2
Molecular Weight 304.139
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[4-Bromo-3-(hydroxymethyl)phenoxy]benzonitrile

SMILES

OCC1=C(Br)C=CC(OC2=CC=C(C=C2)C#N)=C1

InChI

InChIKey=DAMOSKSUIVLOJT-UHFFFAOYSA-N
InChI=1S/C14H10BrNO2/c15-14-6-5-13(7-11(14)9-17)18-12-3-1-10(8-16)2-4-12/h1-7,17H,9H2

HIDE SMILES / InChI

Molecular Formula C14H10BrNO2
Molecular Weight 304.139
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 19:19:31 GMT 2023
Edited
by admin
on Sat Dec 16 19:19:31 GMT 2023
Record UNII
SJ3Z4JSE6C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[4-Bromo-3-(hydroxymethyl)phenoxy]benzonitrile
Systematic Name English
2-Bromo-5-(4-cyanophenoxy)benzyl alcohol
Systematic Name English
Benzonitrile, 4-[4-bromo-3-(hydroxymethyl)phenoxy]-
Systematic Name English
Code System Code Type Description
CAS
906673-45-8
Created by admin on Sat Dec 16 19:19:31 GMT 2023 , Edited by admin on Sat Dec 16 19:19:31 GMT 2023
PRIMARY
PUBCHEM
66738341
Created by admin on Sat Dec 16 19:19:31 GMT 2023 , Edited by admin on Sat Dec 16 19:19:31 GMT 2023
PRIMARY
FDA UNII
SJ3Z4JSE6C
Created by admin on Sat Dec 16 19:19:31 GMT 2023 , Edited by admin on Sat Dec 16 19:19:31 GMT 2023
PRIMARY