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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14ClF3N2O4
Molecular Weight 390.742
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzoic acid, 2-chloro-5-[3-(difluoromethyl)-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-4-fluoro-, 1-methylethyl ester

SMILES

CC(C)OC(=O)C1=C(Cl)C=C(F)C(=C1)N2C(=O)C=C(C)N(C(F)F)C2=O

InChI

InChIKey=AXZSMISENXTDQW-UHFFFAOYSA-N
InChI=1S/C16H14ClF3N2O4/c1-7(2)26-14(24)9-5-12(11(18)6-10(9)17)22-13(23)4-8(3)21(15(19)20)16(22)25/h4-7,15H,1-3H3

HIDE SMILES / InChI

Molecular Formula C16H14ClF3N2O4
Molecular Weight 390.742
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 Mon Mar 31 20:56:22 GMT 2025
Edited
by admin
on Mon Mar 31 20:56:22 GMT 2025
Record UNII
QCD2D78H3T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 2-chloro-5-[3-(difluoromethyl)-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-4-fluoro-, 1-methylethyl ester
Systematic Name English
1-Methylethyl 2-chloro-5-[3-(difluoromethyl)-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-4-fluorobenzoate
Preferred Name English
Code System Code Type Description
FDA UNII
QCD2D78H3T
Created by admin on Mon Mar 31 20:56:22 GMT 2025 , Edited by admin on Mon Mar 31 20:56:22 GMT 2025
PRIMARY
CAS
120890-05-3
Created by admin on Mon Mar 31 20:56:22 GMT 2025 , Edited by admin on Mon Mar 31 20:56:22 GMT 2025
PRIMARY
PUBCHEM
135408
Created by admin on Mon Mar 31 20:56:22 GMT 2025 , Edited by admin on Mon Mar 31 20:56:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID30153053
Created by admin on Mon Mar 31 20:56:22 GMT 2025 , Edited by admin on Mon Mar 31 20:56:22 GMT 2025
PRIMARY