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Details

Stereochemistry ACHIRAL
Molecular Formula C8H5ClFNO4
Molecular Weight 233.581
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-chloro-5-fluoro-2-nitrobenzoate

SMILES

COC(=O)C1=CC(F)=C(Cl)C=C1[N+]([O-])=O

InChI

InChIKey=YRNCZPUTFIMKNT-UHFFFAOYSA-N
InChI=1S/C8H5ClFNO4/c1-15-8(12)4-2-6(10)5(9)3-7(4)11(13)14/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula C8H5ClFNO4
Molecular Weight 233.581
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 21:08:36 GMT 2025
Edited
by admin
on Wed Apr 02 21:08:36 GMT 2025
Record UNII
XT4A75MLG3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Chloro-5-fluoro-2-nitrobenzoic acid methyl ester
Preferred Name English
Methyl 4-chloro-5-fluoro-2-nitrobenzoate
Systematic Name English
Benzoic acid, 4-chloro-5-fluoro-2-nitro-, methyl ester
Systematic Name English
Code System Code Type Description
CAS
1113049-81-2
Created by admin on Wed Apr 02 21:08:36 GMT 2025 , Edited by admin on Wed Apr 02 21:08:36 GMT 2025
PRIMARY
PUBCHEM
59418573
Created by admin on Wed Apr 02 21:08:36 GMT 2025 , Edited by admin on Wed Apr 02 21:08:36 GMT 2025
PRIMARY
FDA UNII
XT4A75MLG3
Created by admin on Wed Apr 02 21:08:36 GMT 2025 , Edited by admin on Wed Apr 02 21:08:36 GMT 2025
PRIMARY