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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H17BrO4
Molecular Weight 365.218
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 3?-bromo-4?-(2-hydroxyethoxy)[1,1?-biphenyl]-4-carboxylate

SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(OCCO)C(Br)=C2

InChI

InChIKey=AFDLEPGAHPAFAI-UHFFFAOYSA-N
InChI=1S/C17H17BrO4/c1-2-21-17(20)13-5-3-12(4-6-13)14-7-8-16(15(18)11-14)22-10-9-19/h3-8,11,19H,2,9-10H2,1H3

HIDE SMILES / InChI

Molecular Formula C17H17BrO4
Molecular Weight 365.218
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 15:26:54 GMT 2025
Edited
by admin
on Wed Apr 02 15:26:54 GMT 2025
Record UNII
SXB4L277RW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 3?-bromo-4?-(2-hydroxyethoxy)[1,1?-biphenyl]-4-carboxylate
Systematic Name English
Ethyl 3?-bromo-4?-(2-hydroxyethoxy)biphenyl-4-carboxylate
Preferred Name English
[1,1?-Biphenyl]-4-carboxylic acid, 3?-bromo-4?-(2-hydroxyethoxy)-, ethyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
SXB4L277RW
Created by admin on Wed Apr 02 15:26:54 GMT 2025 , Edited by admin on Wed Apr 02 15:26:54 GMT 2025
PRIMARY
PUBCHEM
139034095
Created by admin on Wed Apr 02 15:26:54 GMT 2025 , Edited by admin on Wed Apr 02 15:26:54 GMT 2025
PRIMARY
CAS
895543-27-8
Created by admin on Wed Apr 02 15:26:54 GMT 2025 , Edited by admin on Wed Apr 02 15:26:54 GMT 2025
PRIMARY