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Details

Stereochemistry ACHIRAL
Molecular Formula C11H7ClN2O2
Molecular Weight 234.638
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-Chloro-4-pyrimidinyl)benzoic acid

SMILES

OC(=O)C1=CC=C(C=C1)C2=NC(Cl)=NC=C2

InChI

InChIKey=PIFZVVITMGNVMA-UHFFFAOYSA-N
InChI=1S/C11H7ClN2O2/c12-11-13-6-5-9(14-11)7-1-3-8(4-2-7)10(15)16/h1-6H,(H,15,16)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-(2-Chloro-4-pyrimidinyl)benzoic acid
Systematic Name English
Benzoic acid, 4-(2-chloro-4-pyrimidinyl)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID001283940
Created by admin on Sat Dec 16 19:23:06 GMT 2023 , Edited by admin on Sat Dec 16 19:23:06 GMT 2023
PRIMARY
FDA UNII
RLA8V5NC92
Created by admin on Sat Dec 16 19:23:06 GMT 2023 , Edited by admin on Sat Dec 16 19:23:06 GMT 2023
PRIMARY
CAS
281232-89-1
Created by admin on Sat Dec 16 19:23:06 GMT 2023 , Edited by admin on Sat Dec 16 19:23:06 GMT 2023
PRIMARY
PUBCHEM
18617455
Created by admin on Sat Dec 16 19:23:06 GMT 2023 , Edited by admin on Sat Dec 16 19:23:06 GMT 2023
PRIMARY
NIH
NCATS
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