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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8ClNO2.ClH
Molecular Weight 222.069
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Amino-4-chlorobenzoic acid methyl ester hydrochloride

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-Amino-4-chlorobenzoic acid methyl ester hydrochloride
Systematic Name English
Benzoic acid, 3-amino-4-chloro-, methyl ester, hydrochloride
Preferred Name English
Methyl 3-amino-4-chlorobenzoate hydrochloride
Systematic Name English
Benzoic acid, 3-amino-4-chloro-, methyl ester, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
2RNT289HGP
Created by admin on Wed Apr 02 19:09:24 GMT 2025 , Edited by admin on Wed Apr 02 19:09:24 GMT 2025
PRIMARY
PUBCHEM
24820214
Created by admin on Wed Apr 02 19:09:24 GMT 2025 , Edited by admin on Wed Apr 02 19:09:24 GMT 2025
PRIMARY
CAS
161796-15-2
Created by admin on Wed Apr 02 19:09:24 GMT 2025 , Edited by admin on Wed Apr 02 19:09:24 GMT 2025
PRIMARY
NIH
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