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Details

Stereochemistry ACHIRAL
Molecular Formula C8H5BrO4
Molecular Weight 245.027
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Bromoisophthalic acid

SMILES

OC(=O)C1=CC(=CC(Br)=C1)C(O)=O

InChI

InChIKey=JATKASGNRMGFSW-UHFFFAOYSA-N
InChI=1S/C8H5BrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)

HIDE SMILES / InChI

Molecular Formula C8H5BrO4
Molecular Weight 245.027
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 Tue Apr 01 19:27:33 GMT 2025
Edited
by admin
on Tue Apr 01 19:27:33 GMT 2025
Record UNII
Y9Z6T6B9C7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Benzenedicarboxylic acid, 5-bromo-
Preferred Name English
5-Bromoisophthalic acid
Systematic Name English
5-Bromo-1,3-benzenedicarboxylic acid
Systematic Name English
Isophthalic acid, 5-bromo-
Systematic Name English
Code System Code Type Description
FDA UNII
Y9Z6T6B9C7
Created by admin on Tue Apr 01 19:27:33 GMT 2025 , Edited by admin on Tue Apr 01 19:27:33 GMT 2025
PRIMARY
CAS
23351-91-9
Created by admin on Tue Apr 01 19:27:33 GMT 2025 , Edited by admin on Tue Apr 01 19:27:33 GMT 2025
PRIMARY
PUBCHEM
90073
Created by admin on Tue Apr 01 19:27:33 GMT 2025 , Edited by admin on Tue Apr 01 19:27:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID4066882
Created by admin on Tue Apr 01 19:27:33 GMT 2025 , Edited by admin on Tue Apr 01 19:27:33 GMT 2025
PRIMARY
ECHA (EC/EINECS)
245-602-6
Created by admin on Tue Apr 01 19:27:33 GMT 2025 , Edited by admin on Tue Apr 01 19:27:33 GMT 2025
PRIMARY