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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6ClNO4
Molecular Weight 215.591
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2-chloro-5-nitrobenzoate

SMILES

COC(=O)C1=CC(=CC=C1Cl)[N+]([O-])=O

InChI

InChIKey=VCYWZLGOWNCJNJ-UHFFFAOYSA-N
InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Methyl 2-chloro-5-nitrobenzoate
Systematic Name English
NSC-44287
Preferred Name English
2-Chloro-5-nitrobenzoic acid methyl ester
Systematic Name English
Benzoic acid, 2-chloro-5-nitro-, methyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
L7RN5S2SA7
Created by admin on Wed Apr 02 19:16:55 GMT 2025 , Edited by admin on Wed Apr 02 19:16:55 GMT 2025
PRIMARY
CAS
6307-82-0
Created by admin on Wed Apr 02 19:16:55 GMT 2025 , Edited by admin on Wed Apr 02 19:16:55 GMT 2025
PRIMARY
PUBCHEM
22754
Created by admin on Wed Apr 02 19:16:55 GMT 2025 , Edited by admin on Wed Apr 02 19:16:55 GMT 2025
PRIMARY
NIH
NCATS
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