chempirical

Penconazole

C13H15Cl2N3CAS 66246-88-6284.18 g/mol

Open in Covalent MOL file
NNNClCl
Aryl halide

Properties

Molecular formula
C13H15Cl2N3
Molar mass
284.18 g/mol
Exact mass
283.0643 Da
Melting point
58.5 °C
logP
4.17Crippen estimate
Polar surface area
30.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
66246-88-6
SMILES
CCCC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIKey
WKBPZYKAUNRMKP-UHFFFAOYSA-N
InChI
InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • 1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)pentyl]-
  • 1-[2-(2,4-Dichlorophenyl)pentyl]-1H-1,2,4-triazole
  • CGA 71818
  • Topaze
  • Topas
  • Ofir
  • Pine gel
  • Regal gel
  • (±)-Penconazole
  • Omnex
  • Omnex WP 10
  • Topas (fungicide)
  • Erluejunzuo
  • Pentos

Work with Penconazole

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

Propiconazole60207-90-152 % similar Hexaconazole79983-71-448 % similar Azaconazole60207-31-044 % similar (±)-α-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol24155-42-841 % similar 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methanesulfonate, (2R,4R)-rel-67914-86-739 % similar Myclobutanil88671-89-039 % similar Difenoconazole119446-68-337 % similar Cyproconazole113096-99-437 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook