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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 4-BROMOISOPHTHALIC ACID

SMILES

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

InChI

InChIKey=MSQIEZXCNYUWHN-UHFFFAOYSA-N
InChI=1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(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 Sat Dec 16 12:08:40 GMT 2023
Edited
by admin
on Sat Dec 16 12:08:40 GMT 2023
Record UNII
AB8MA69VHG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-BROMOISOPHTHALIC ACID
Systematic Name English
NSC-38770
Code English
4-BROMO-1,3-BENZENEDICARBOXYLIC ACID
Systematic Name English
4-BROMOBENZENE-1,3-DICARBOXYLIC ACID
Systematic Name English
1,3-BENZENEDICARBOXYLIC ACID, 4-BROMO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50219509
Created by admin on Sat Dec 16 12:08:40 GMT 2023 , Edited by admin on Sat Dec 16 12:08:40 GMT 2023
PRIMARY
PUBCHEM
81361
Created by admin on Sat Dec 16 12:08:40 GMT 2023 , Edited by admin on Sat Dec 16 12:08:40 GMT 2023
PRIMARY
CAS
6939-93-1
Created by admin on Sat Dec 16 12:08:40 GMT 2023 , Edited by admin on Sat Dec 16 12:08:40 GMT 2023
PRIMARY
ECHA (EC/EINECS)
230-078-3
Created by admin on Sat Dec 16 12:08:40 GMT 2023 , Edited by admin on Sat Dec 16 12:08:40 GMT 2023
PRIMARY
FDA UNII
AB8MA69VHG
Created by admin on Sat Dec 16 12:08:40 GMT 2023 , Edited by admin on Sat Dec 16 12:08:40 GMT 2023
PRIMARY
NSC
38770
Created by admin on Sat Dec 16 12:08:40 GMT 2023 , Edited by admin on Sat Dec 16 12:08:40 GMT 2023
PRIMARY