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Details

Stereochemistry ACHIRAL
Molecular Formula C13H11ClN2O2
Molecular Weight 262.692
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 4-(4-chloro-2-pyrimidinyl)benzoate

SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NC(Cl)=CC=N2

InChI

InChIKey=UUJYDYDOKKJLAF-UHFFFAOYSA-N
InChI=1S/C13H11ClN2O2/c1-2-18-13(17)10-5-3-9(4-6-10)12-15-8-7-11(14)16-12/h3-8H,2H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Benzoic acid, 4-(4-chloro-2-pyrimidinyl)-, ethyl ester
Preferred Name English
Ethyl 4-(4-chloro-2-pyrimidinyl)benzoate
Systematic Name English
Code System Code Type Description
CAS
97604-14-3
Created by admin on Wed Apr 02 18:57:34 GMT 2025 , Edited by admin on Wed Apr 02 18:57:34 GMT 2025
PRIMARY
FDA UNII
NTW7Y5SVU3
Created by admin on Wed Apr 02 18:57:34 GMT 2025 , Edited by admin on Wed Apr 02 18:57:34 GMT 2025
PRIMARY
PUBCHEM
13590370
Created by admin on Wed Apr 02 18:57:34 GMT 2025 , Edited by admin on Wed Apr 02 18:57:34 GMT 2025
PRIMARY
NIH
NCATS
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