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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 3-(2-chloro-4-pyrimidinyl)benzoate

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
Ethyl 3-(2-chloro-4-pyrimidinyl)benzoate
Systematic Name English
3-(2-Chloropyrimidin-4-yl)benzoic acid ethyl ester
Systematic Name English
Benzoic acid, 3-(2-chloro-4-pyrimidinyl)-, ethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
24901959
Created by admin on Sat Dec 16 19:27:22 GMT 2023 , Edited by admin on Sat Dec 16 19:27:22 GMT 2023
PRIMARY
FDA UNII
C5PS7X4P3Y
Created by admin on Sat Dec 16 19:27:22 GMT 2023 , Edited by admin on Sat Dec 16 19:27:22 GMT 2023
PRIMARY
CAS
859516-86-2
Created by admin on Sat Dec 16 19:27:22 GMT 2023 , Edited by admin on Sat Dec 16 19:27:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID701274843
Created by admin on Sat Dec 16 19:27:22 GMT 2023 , Edited by admin on Sat Dec 16 19:27:22 GMT 2023
PRIMARY
NIH
NCATS
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