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Details

Stereochemistry ACHIRAL
Molecular Formula C12H6BrClF4N2O2
Molecular Weight 401.539
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzoic acid, 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-

SMILES

CN1N=C(C(Br)=C1C(F)(F)F)C2=CC(C(O)=O)=C(Cl)C=C2F

InChI

InChIKey=YNMHKERYELPEEF-UHFFFAOYSA-N
InChI=1S/C12H6BrClF4N2O2/c1-20-10(12(16,17)18)8(13)9(19-20)5-2-4(11(21)22)6(14)3-7(5)15/h2-3H,1H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C12H6BrClF4N2O2
Molecular Weight 401.539
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 15:32:14 GMT 2023
Edited
by admin
on Sat Dec 16 15:32:14 GMT 2023
Record UNII
QLK6TGQ5PU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-
Systematic Name English
5-(4-Bromanyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl)-2-chloranyl-4-fluoranyl-benzoic acid
Systematic Name English
5-[4-Bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluorobenzoic acid
Systematic Name English
4-Bromo-3-(5'-carboxy-4'-chloro-2'-fluorophenyl)-1-methyl-5-trifluoromethyl-pyrazol
Systematic Name English
Code System Code Type Description
CAS
174514-08-0
Created by admin on Sat Dec 16 15:32:14 GMT 2023 , Edited by admin on Sat Dec 16 15:32:14 GMT 2023
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FDA UNII
QLK6TGQ5PU
Created by admin on Sat Dec 16 15:32:14 GMT 2023 , Edited by admin on Sat Dec 16 15:32:14 GMT 2023
PRIMARY
PUBCHEM
448564
Created by admin on Sat Dec 16 15:32:14 GMT 2023 , Edited by admin on Sat Dec 16 15:32:14 GMT 2023
PRIMARY