Molecular Identity
Lactofen
(1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
PubChem CID: 62276
Lactofen can cause cancer according to an independent committee of scientific and health experts.
2D Structure
Properties
C19H15ClF3NO7
Molecular Formula
461.80
Molecular Weight
g/mol
461.0489
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
10
H-Bond Acceptors
657
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)C(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]Isomeric SMILES
SMILES: CCOC(=O)C(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]Synonyms(20)
LACTOFEN77501-63-4CobraCobra herbicidePPG 844DTXSID7024160L44N8UV47O1'-(Carboethoxy)ethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoateDTXCID404160Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl esterBenzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl esterRefChem:152072ethyl 2-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoyloxy)propanoate83513-60-42-Ethoxy-1-methyl-2-oxoethyl 5-(2-chloro-4-trifluoromethylphenoxy)-2-nitrobenzoate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Lactofen
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