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Details

Stereochemistry ACHIRAL
Molecular Formula C10H11BrO5
Molecular Weight 291.095
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Bromo-3,4,5-trimethoxybenzoic acid

SMILES

COC1=C(OC)C(OC)=C(Br)C(=C1)C(O)=O

InChI

InChIKey=AUVPVHYYPCTFAV-UHFFFAOYSA-N
InChI=1S/C10H11BrO5/c1-14-6-4-5(10(12)13)7(11)9(16-3)8(6)15-2/h4H,1-3H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C10H11BrO5
Molecular Weight 291.095
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 06:40:31 GMT 2025
Edited
by admin
on Wed Apr 02 06:40:31 GMT 2025
Record UNII
MR7T6DL6BY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Bromo-3,4,5-trimethoxybenzoic acid
Systematic Name English
NSC-226197
Preferred Name English
NSC-226216
Code English
Benzoic acid, 2-bromo-3,4,5-trimethoxy-
Systematic Name English
2-Bromogallic acid trimethyl ether
Common Name English
Code System Code Type Description
FDA UNII
MR7T6DL6BY
Created by admin on Wed Apr 02 06:40:31 GMT 2025 , Edited by admin on Wed Apr 02 06:40:31 GMT 2025
PRIMARY
PUBCHEM
313097
Created by admin on Wed Apr 02 06:40:31 GMT 2025 , Edited by admin on Wed Apr 02 06:40:31 GMT 2025
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EPA CompTox
DTXSID00310373
Created by admin on Wed Apr 02 06:40:31 GMT 2025 , Edited by admin on Wed Apr 02 06:40:31 GMT 2025
PRIMARY
NSC
226216
Created by admin on Wed Apr 02 06:40:31 GMT 2025 , Edited by admin on Wed Apr 02 06:40:31 GMT 2025
PRIMARY
NSC
226197
Created by admin on Wed Apr 02 06:40:31 GMT 2025 , Edited by admin on Wed Apr 02 06:40:31 GMT 2025
PRIMARY
CAS
23346-82-9
Created by admin on Wed Apr 02 06:40:31 GMT 2025 , Edited by admin on Wed Apr 02 06:40:31 GMT 2025
PRIMARY