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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7ClO3
Molecular Weight 186.592
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 5-CHLOROSALICYLATE

SMILES

COC(=O)C1=CC(Cl)=CC=C1O

InChI

InChIKey=KJWHRMZKJXOWFC-UHFFFAOYSA-N
InChI=1S/C8H7ClO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
NSC-85495
Preferred Name English
METHYL 5-CHLOROSALICYLATE
Systematic Name English
BENZOIC ACID, 5-CHLORO-2-HYDROXY-, METHYL ESTER
Systematic Name English
SALICYLIC ACID, 5-CHLORO-, METHYL ESTER
Systematic Name English
METHYL 5-CHLORO-2-HYDROXYBENZOATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
223-778-5
Created by admin on Tue Apr 01 20:21:12 GMT 2025 , Edited by admin on Tue Apr 01 20:21:12 GMT 2025
PRIMARY
FDA UNII
M84L29Z8QR
Created by admin on Tue Apr 01 20:21:12 GMT 2025 , Edited by admin on Tue Apr 01 20:21:12 GMT 2025
PRIMARY
NSC
85495
Created by admin on Tue Apr 01 20:21:12 GMT 2025 , Edited by admin on Tue Apr 01 20:21:12 GMT 2025
PRIMARY
PUBCHEM
77684
Created by admin on Tue Apr 01 20:21:12 GMT 2025 , Edited by admin on Tue Apr 01 20:21:12 GMT 2025
PRIMARY
CAS
4068-78-4
Created by admin on Tue Apr 01 20:21:12 GMT 2025 , Edited by admin on Tue Apr 01 20:21:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID5063283
Created by admin on Tue Apr 01 20:21:12 GMT 2025 , Edited by admin on Tue Apr 01 20:21:12 GMT 2025
PRIMARY
NIH
NCATS
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