chempirical

Esfenvalerate

C25H22ClNO3CAS 66230-04-4419.91 g/mol

Open in Covalent MOL file
OONOCl
Aryl halideEsterEtherNitrile

Properties

Molecular formula
C25H22ClNO3
Molar mass
419.91 g/mol
Exact mass
419.1288 Da
Density
1.175 g/mL (at 25 °C)
Melting point
59–60.2 °C
Boiling point
151–167 °C
logP
6.68Crippen estimate
Polar surface area
59.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
66230-04-4
SMILES
CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1
InChIKey
NYPJDWWKZLNGGM-RPWUZVMVSA-N
InChI
InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1

Weigh it out

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

Names and synonyms

20 names · show all
  • Benzeneacetic acid, 4-chloro-α-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (αS)-
  • Benzeneacetic acid, 4-chloro-α-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-
  • Fenvalerate α
  • (S)-α-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)isovalerate
  • S 5602Aα
  • Fenvalerate aα
  • Aα
  • OMS 3023
  • Sumicidin aα
  • Sumi-alpha
  • S 1844
  • Sumi-alfa
  • Asana
  • (S,S)-Fenvalerate
  • Asana XL
  • Sumidan
  • α-Sum
  • 1S,1′S-Fenvalerate
  • Sumi-gold
  • Soumi gold

Work with Esfenvalerate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Flucythrinate70124-77-577 % similar Fenpropathrin39515-41-864 % similar Fenpropathrin64257-84-764 % similar Cypermethrin52315-07-855 % similar (S)-Cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate65731-84-255 % similar α-Cypermethrin67375-30-855 % similar Theta-cypermethrin71697-59-155 % similar Cyphenothrin39515-40-754 % similar

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

Same formula

Fenvalerate51630-58-1

Elsewhere

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