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Details

Stereochemistry ACHIRAL
Molecular Formula C11H9ClN2O2
Molecular Weight 236.654
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-[(3-Chlorophenyl)methyl]-1H-pyrazole-3-carboxylic acid

SMILES

OC(=O)C1=CC(CC2=CC=CC(Cl)=C2)=NN1

InChI

InChIKey=UYMDSFKYOCEPFN-UHFFFAOYSA-N
InChI=1S/C11H9ClN2O2/c12-8-3-1-2-7(4-8)5-9-6-10(11(15)16)14-13-9/h1-4,6H,5H2,(H,13,14)(H,15,16)

HIDE SMILES / InChI

Molecular Formula C11H9ClN2O2
Molecular Weight 236.654
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 Sat Dec 16 15:18:46 GMT 2023
Edited
by admin
on Sat Dec 16 15:18:46 GMT 2023
Record UNII
G3X43GW2KL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-[(3-Chlorophenyl)methyl]-1H-pyrazole-3-carboxylic acid
Systematic Name English
3-[(3-Chlorophenyl)methyl]-1H-pyrazole-5-carboxylic acid
Systematic Name English
1H-Pyrazole-3-carboxylic acid, 5-[(3-chlorophenyl)methyl]-
Systematic Name English
Code System Code Type Description
CAS
595610-55-2
Created by admin on Sat Dec 16 15:18:46 GMT 2023 , Edited by admin on Sat Dec 16 15:18:46 GMT 2023
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FDA UNII
G3X43GW2KL
Created by admin on Sat Dec 16 15:18:46 GMT 2023 , Edited by admin on Sat Dec 16 15:18:46 GMT 2023
PRIMARY
PUBCHEM
11776293
Created by admin on Sat Dec 16 15:18:46 GMT 2023 , Edited by admin on Sat Dec 16 15:18:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID30472377
Created by admin on Sat Dec 16 15:18:46 GMT 2023 , Edited by admin on Sat Dec 16 15:18:46 GMT 2023
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