chempirical

Difenoconazole

C19H17Cl2N3O3CAS 119446-68-3406.26 g/mol

Open in Covalent MOL file
ONNNOClClO
AcetalAryl halideEther

Properties

Molecular formula
C19H17Cl2N3O3
Molar mass
406.26 g/mol
Exact mass
405.0647 Da
Melting point
76 °C
logP
4.67Crippen estimate
Polar surface area
58.4 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5

Identifiers

CAS number
119446-68-3
SMILES
CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1
InChIKey
BQYJATMQXGBDHF-UHFFFAOYSA-N
InChI
InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3

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Names and synonyms

14 names · show all
  • 1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-
  • 1-[[2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole
  • CGA 169374
  • Dragon
  • Score
  • Dividend
  • Dividend (fungicide)
  • Score EC 250
  • Plover
  • Difenconazole
  • Score 10WG
  • Bardos neu
  • Sico
  • BaiJunTong

Work with Difenoconazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Bromomethyl)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane873012-43-265 % similar Propiconazole60207-90-162 % similar Azaconazole60207-31-057 % similar 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methanesulfonate, (2R,4R)-rel-67914-86-756 % similar Terconazole67915-31-556 % similar Itraconazole84625-61-647 % similar Hexaconazole79983-71-444 % similar Cyproconazole113096-99-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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