Molecular Identity
Aclonifen
2-chloro-6-nitro-3-phenoxyaniline
PubChem CID: 92389
Aclonifen is a primary amino compound that is aniline in which the phenyl group has been substituted at positions 2, 3, and 6 by chlorine, phenoxy, and nitro groups, respectively. A protoporphyrinogen oxidase (PPO) inhibitor, it is used as a herbicide against a broad range of weeds in a wide range of crops. It has a role as a carotenoid biosynthesis inhibitor, a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is an aromatic ether, a C-nitro compound, a substituted aniline, a primary amino compound and a member of monochlorobenzenes.
2D Structure
Properties
C12H9ClN2O3
Molecular Formula
264.66
Molecular Weight
g/mol
264.0302
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
81.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
292
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Aclonifen74070-46-52-Chloro-6-nitro-3-phenoxyanilineBandurChallenge2-Chloro-6-nitro-3-phenoxybenzenamineCME 127DTXSID70581751762RDA835CHEBI:137374CME-127RefChem:109279DTXCID3031943277-704-1Benzenamine, 2-chloro-6-nitro-3-phenoxy-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Aclonifen
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