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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-(2-chloro-4-pyrimidinyl)benzoate

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Ethyl 4-(2-chloro-4-pyrimidinyl)benzoate
Systematic Name English
Benzoic acid, 4-(2-chloro-4-pyrimidinyl)-, ethyl ester
Preferred Name English
Code System Code Type Description
PUBCHEM
11065261
Created by admin on Wed Apr 02 15:35:02 GMT 2025 , Edited by admin on Wed Apr 02 15:35:02 GMT 2025
PRIMARY
FDA UNII
Z5W4V4NZ5U
Created by admin on Wed Apr 02 15:35:02 GMT 2025 , Edited by admin on Wed Apr 02 15:35:02 GMT 2025
PRIMARY
CAS
499195-60-7
Created by admin on Wed Apr 02 15:35:02 GMT 2025 , Edited by admin on Wed Apr 02 15:35:02 GMT 2025
PRIMARY
NIH
NCATS
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