chempirical

Picoxystrobin

C18H16F3NO4CAS 117428-22-5367.32 g/mol

Open in Covalent MOL file
OOOOFFFN
AlkeneAlkyl halideEsterEther

Properties

Molecular formula
C18H16F3NO4
Molar mass
367.32 g/mol
Exact mass
367.1031 Da
Melting point
68–69 °C
logP
3.84Crippen estimate
Polar surface area
57.6 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
6
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
117428-22-5
SMILES
CO/C=C(/C(=O)OC)c1ccccc1COc1cccc(C(F)(F)F)n1
InChIKey
IBSNKSODLGJUMQ-SDNWHVSQSA-N
InChI
InChI=1S/C18H16F3NO4/c1-24-11-14(17(23)25-2)13-7-4-3-6-12(13)10-26-16-9-5-8-15(22-16)18(19,20)21/h3-9,11H,10H2,1-2H3/b14-11+

Weigh it out

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

Names and synonyms

6 names
  • Benzeneacetic acid, α-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (αE)-
  • Benzeneacetic acid, α-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (E)-
  • ZEN 90160
  • Acanto
  • Acapela
  • Aproach

Work with Picoxystrobin

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

Methyl (αe)-2-[(6-chloro-4-pyrimidinyl)oxy]-α-(methoxymethylene)benzeneacetate131860-97-443 % similar Azoxystrobin131860-33-840 % similar Trifloxystrobin141517-21-739 % similar Kresoxim-methyl143390-89-036 % similar Methyl β-oxo-2-(trifluoromethyl)benzenepropanoate212755-77-632 % similar 6-Trifluoromethyl-2-pyridinecarboxylic acid131747-42-731 % similar Dibenz[B,E]oxepin-11(6H)-one4504-87-430 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook