Molecular Identity
Bromuconazole
1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
PubChem CID: 3444
Bromuconazole is a member of the class of oxolanes carrying 1,2,4-triazol-ylmethyl and 2,4-dichlorophenyl substituents at position 2 as well as a bromo substituent at position 4. A foliar applied conazole fungicide for a range of crops including cereals, fruit, vegetables and vines. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a dichlorobenzene, a member of oxolanes, a member of triazoles, an organobromine compound, a conazole fungicide and a triazole fungicide.
2D Structure
Properties
C13H12BrCl2N3O
Molecular Formula
377.10
Molecular Weight
g/mol
374.9541
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
39.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
352
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Bromuconazole116255-48-2GRANITDTXSID9032531PHS29ZMZ81VECTRA1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazoleDTXCID7012531CHEBI:819001-((2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1H-1,2,4-triazole1H-1,2,4-Triazole, 1-((4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-RefChem:570413408-060-3BromuconazolBromuconazole [ISO]
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bromuconazole
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