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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8ClNO2
Molecular Weight 185.608
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-amino-4-chlorobenzoate

SMILES

COC(=O)C1=CC(N)=C(Cl)C=C1

InChI

InChIKey=LOCJPOYKBUUVKU-UHFFFAOYSA-N
InChI=1S/C8H8ClNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-Chloro-5-methoxycarbonylaniline
Preferred Name English
Methyl 3-amino-4-chlorobenzoate
Systematic Name English
Benzoic acid, 3-amino-4-chloro-, methyl ester
Systematic Name English
3-Amino-4-chlorobenzoic acid methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
593055
Created by admin on Wed Apr 02 19:16:23 GMT 2025 , Edited by admin on Wed Apr 02 19:16:23 GMT 2025
PRIMARY
FDA UNII
GEW7YM92C4
Created by admin on Wed Apr 02 19:16:23 GMT 2025 , Edited by admin on Wed Apr 02 19:16:23 GMT 2025
PRIMARY
CAS
40872-87-5
Created by admin on Wed Apr 02 19:16:23 GMT 2025 , Edited by admin on Wed Apr 02 19:16:23 GMT 2025
PRIMARY
NIH
NCATS
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