chempirical

Myclobutanil

C15H17ClN4CAS 88671-89-0288.78 g/mol

Open in Covalent MOL file
NNNNCl
Aryl halideNitrile

Properties

Molecular formula
C15H17ClN4
Molar mass
288.78 g/mol
Exact mass
288.1142 Da
Melting point
65.5 °C
Boiling point
202–208 °C (at 1 Torr)
logP
3.58Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
88671-89-0
SMILES
CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1
InChIKey
HZJKXKUJVSEEFU-UHFFFAOYSA-N
InChI
InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3

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

Names and synonyms

25 names · show all
  • 1H-1,2,4-Triazole-1-propanenitrile, α-butyl-α-(4-chlorophenyl)-
  • α-Butyl-α-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
  • RH 3866
  • Systhane
  • HOE 39304F
  • Rally
  • Systhane 6 flo
  • Nova W
  • Nova
  • Nu-flow M
  • Nova (pesticide)
  • Systhane 12E
  • (±)-Myclobutanil
  • Nova 40W
  • Systhane 40W
  • Spectracide immunox multi-purpose fungicide
  • Eagle
  • Deccotanil
  • Laredo 25EC
  • Laredo 25EW
  • Fungiben
  • Mycloss xtra
  • Rally 40WSP
  • Rally 40 WP
  • Systhane 20EW

Work with Myclobutanil

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

1-(4-Chlorophenyl)cyclobutanecarbonitrile28049-61-852 % similar Hexaconazole79983-71-452 % similar Cyproconazole113096-99-445 % similar Cyproconazole94361-06-545 % similar Tebuconazole107534-96-344 % similar Tebuconazole80443-41-044 % similar Propiconazole60207-90-140 % similar Penconazole66246-88-639 % similar

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

Same formula

Neutral red553-24-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia