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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7BrO3
Molecular Weight 231.043
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 5-bromosalicylate

SMILES

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

InChI

InChIKey=FJYDBKPPGRZSOZ-UHFFFAOYSA-N
InChI=1S/C8H7BrO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3

HIDE SMILES / InChI

Molecular Formula C8H7BrO3
Molecular Weight 231.043
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 18:49:49 GMT 2025
Edited
by admin
on Tue Apr 01 18:49:49 GMT 2025
Record UNII
BP8RS9J6QF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 5-bromosalicylate
Systematic Name English
NSC-30264
Preferred Name English
Benzoic acid, 5-bromo-2-hydroxy-, methyl ester
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
223-776-4
Created by admin on Tue Apr 01 18:49:49 GMT 2025 , Edited by admin on Tue Apr 01 18:49:49 GMT 2025
PRIMARY
CAS
4068-76-2
Created by admin on Tue Apr 01 18:49:49 GMT 2025 , Edited by admin on Tue Apr 01 18:49:49 GMT 2025
PRIMARY
PUBCHEM
77683
Created by admin on Tue Apr 01 18:49:49 GMT 2025 , Edited by admin on Tue Apr 01 18:49:49 GMT 2025
PRIMARY
FDA UNII
BP8RS9J6QF
Created by admin on Tue Apr 01 18:49:49 GMT 2025 , Edited by admin on Tue Apr 01 18:49:49 GMT 2025
PRIMARY
NSC
30264
Created by admin on Tue Apr 01 18:49:49 GMT 2025 , Edited by admin on Tue Apr 01 18:49:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID80193666
Created by admin on Tue Apr 01 18:49:49 GMT 2025 , Edited by admin on Tue Apr 01 18:49:49 GMT 2025
PRIMARY