IUPAC name
2-[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]acetic acid
SMILES
C1CCC2=C(C1)C(=O)N(c1cc(c(cc1F)Cl)OCC(=O)O)C2=O
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
flumiclorac
IUPAC name
2-[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]acetic acid
SMILES
C1CCC2=C(C1)C(=O)N(c1cc(c(cc1F)Cl)OCC(=O)O)C2=O
INCHI
InChI=1S/C16H13ClFNO5/c17-10-5-11(18)12(6-13(10)24-7-14(20)21)19-15(22)8-3-1-2-4-9(8)16(19)23/h5-6H,1-4,7H2,(H,20,21)
FORMULA
C16H13ClFNO5
Common name
flumiclorac
IUPAC name
2-[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]acetic acid
Molecular weight
353.730
clogP
2.937
clogS
-3.769
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
83.91
Number of Rings
3
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00685 | 1-chloro-3-fluoro-benzene |
|
Clc1cc(ccc1)F | 0.0055 |
| FDBF00723 | 2-hydroxyacetic acid |
|
OCC(=O)O | 0.0086 |
| FDBF05513 | 4,5,6,7-tetrahydroisoindole-1,3-dione |
|
N1C(=O)C2=C(C1=O)CCCC2 | 0.0017 |
| FDBF06148 | 2-chloro-4-fluorophenol |
|
Oc1c(cc(cc1)F)Cl | 0.0017 |
| FDBF06150 | 2-(2-chloro-4-fluorophenoxy)acetic acid |
|
C(C(=O)O)Oc1c(cc(cc1)F)Cl | 0.0010 |
6 ,
1
