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

Details

Stereochemistry RACEMIC
Molecular Formula C8H5Cl3O3
Molecular Weight 255.483
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,5-TRICHLOROMANDELIC ACID

SMILES

OC(C(O)=O)C1=CC(Cl)=C(Cl)C=C1Cl

InChI

InChIKey=MSFLMFCJMMEJHO-UHFFFAOYSA-N
InChI=1S/C8H5Cl3O3/c9-4-2-6(11)5(10)1-3(4)7(12)8(13)14/h1-2,7,12H,(H,13,14)

HIDE SMILES / InChI

Approval Year

Name Type Language
2,4,5-TRICHLOROMANDELIC ACID
Common Name English
BENZENEACETIC ACID, 2,4,5-TRICHLORO-.ALPHA.-HYDROXY-
Systematic Name English
2,4,5-TRICHLORO-.ALPHA.-HYDROXYBENZENEACETIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
3OS49679N5
Created by admin on Sat Dec 16 12:36:43 GMT 2023 , Edited by admin on Sat Dec 16 12:36:43 GMT 2023
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CAS
14299-51-5
Created by admin on Sat Dec 16 12:36:43 GMT 2023 , Edited by admin on Sat Dec 16 12:36:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID80931707
Created by admin on Sat Dec 16 12:36:43 GMT 2023 , Edited by admin on Sat Dec 16 12:36:43 GMT 2023
PRIMARY
PUBCHEM
151911
Created by admin on Sat Dec 16 12:36:43 GMT 2023 , Edited by admin on Sat Dec 16 12:36:43 GMT 2023
PRIMARY