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Details

Stereochemistry ACHIRAL
Molecular Formula C18H17BrO5
Molecular Weight 393.229
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [1,1?-Biphenyl]-4-carboxylic acid, 4?-[2-(acetyloxy)ethoxy]-3?-bromo-, methyl ester

SMILES

COC(=O)C1=CC=C(C=C1)C2=CC(Br)=C(OCCOC(C)=O)C=C2

InChI

InChIKey=HTCKAOQFGWBIKS-UHFFFAOYSA-N
InChI=1S/C18H17BrO5/c1-12(20)23-9-10-24-17-8-7-15(11-16(17)19)13-3-5-14(6-4-13)18(21)22-2/h3-8,11H,9-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H17BrO5
Molecular Weight 393.229
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 18:45:14 GMT 2025
Edited
by admin
on Wed Apr 02 18:45:14 GMT 2025
Record UNII
A98H5XMX5Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
[1,1?-Biphenyl]-4-carboxylic acid, 4?-[2-(acetyloxy)ethoxy]-3?-bromo-, methyl ester
Preferred Name English
Code System Code Type Description
CAS
3016428-45-5
Created by admin on Wed Apr 02 18:45:14 GMT 2025 , Edited by admin on Wed Apr 02 18:45:14 GMT 2025
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FDA UNII
A98H5XMX5Y
Created by admin on Wed Apr 02 18:45:14 GMT 2025 , Edited by admin on Wed Apr 02 18:45:14 GMT 2025
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