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Details

Stereochemistry ACHIRAL
Molecular Formula C17H13ClF6N2O4
Molecular Weight 458.74
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-40-4879

SMILES

COC1=NC(=CC(=O)N1C2=C(F)C=C(Cl)C(=C2)C(=O)OC(C)C)C(F)(F)C(F)(F)F

InChI

InChIKey=REUNWMORPHAOQT-UHFFFAOYSA-N
InChI=1S/C17H13ClF6N2O4/c1-7(2)30-14(28)8-4-11(10(19)5-9(8)18)26-13(27)6-12(25-15(26)29-3)16(20,21)17(22,23)24/h4-7H,1-3H3

HIDE SMILES / InChI

Molecular Formula C17H13ClF6N2O4
Molecular Weight 458.74
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 22:02:29 GMT 2025
Edited
by admin
on Mon Mar 31 22:02:29 GMT 2025
Record UNII
8L0E49FR1R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO 40-4879
Preferred Name English
RO-40-4879
Common Name English
BENZOIC ACID, 2-CHLORO-4-FLUORO-5-(2-METHOXY-6-OXO-4-(PENTAFLUOROETHYL)-1(6H)-PYRIMIDINYL)-, 1-METHYL ETHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
135401
Created by admin on Mon Mar 31 22:02:29 GMT 2025 , Edited by admin on Mon Mar 31 22:02:29 GMT 2025
PRIMARY
EPA CompTox
DTXSID50151192
Created by admin on Mon Mar 31 22:02:29 GMT 2025 , Edited by admin on Mon Mar 31 22:02:29 GMT 2025
PRIMARY
CAS
115784-92-4
Created by admin on Mon Mar 31 22:02:29 GMT 2025 , Edited by admin on Mon Mar 31 22:02:29 GMT 2025
PRIMARY
FDA UNII
8L0E49FR1R
Created by admin on Mon Mar 31 22:02:29 GMT 2025 , Edited by admin on Mon Mar 31 22:02:29 GMT 2025
PRIMARY