chempirical

Azaconazole

C12H11Cl2N3O2CAS 60207-31-0300.14 g/mol

Open in Covalent MOL file
ClNNNOOCl
AcetalAryl halideEther

Properties

Molecular formula
C12H11Cl2N3O2
Molar mass
300.14 g/mol
Exact mass
299.0228 Da
Melting point
112.6 °C
logP
2.48Crippen estimate
Polar surface area
49.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
60207-31-0
SMILES
Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1
InChIKey
AKNQMEBLVAMSNZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2

Weigh it out

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

Names and synonyms

6 names
  • 1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-
  • 1-[[2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole
  • Azoconazole
  • Madurox
  • R 28644
  • Rodewod

Work with Azaconazole

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

Propiconazole60207-90-165 % similar 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methanesulfonate, (2R,4R)-rel-67914-86-759 % similar Difenoconazole119446-68-357 % similar Hexaconazole79983-71-455 % similar Terconazole67915-31-551 % similar Penconazole66246-88-644 % similar Itraconazole84625-61-642 % similar Tebuconazole107534-96-342 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook