3-Amino-4-chlorobenzoic acid methyl ester hydrochloride

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

Structure Search

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

Molecular Formula	C8H8ClNO2
Molecular Weight	185.608
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
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 19:09:24 GMT 2025` Edited by `admin` on `Wed Apr 02 19:09:24 GMT 2025`
Record UNII	2RNT289HGP
Record Status	`Validated (UNII)`
Record Version

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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

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Methyl 3-amino-4-chlorobenzoate

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Amount: