chempirical

Quizalofop-tefuryl

C22H21ClN2O5CAS 119738-06-6428.87 g/mol

Open in Covalent MOL file
OONClNOOO
Aryl halideEsterEther

Properties

Molecular formula
C22H21ClN2O5
Molar mass
428.87 g/mol
Exact mass
428.1139 Da
Melting point
64 °C
logP
4.57Crippen estimate
Polar surface area
79.8 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
7

Identifiers

CAS number
119738-06-6
SMILES
CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCC1CCCO1
InChIKey
BBKDWPHJZANJGB-UHFFFAOYSA-N
InChI
InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3

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Names and synonyms

2 names
  • Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, (tetrahydro-2-furanyl)methyl ester
  • UBI 1956

Work with Quizalofop-tefuryl

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

Quizalofop-P-ethyl100646-51-372 % similar Quizalofop-ethyl76578-14-872 % similar Quizalofop-P94051-08-861 % similar Fenoxaprop P-ethyl71283-80-247 % similar Fluazifop-P-butyl79241-46-642 % similar Diclofop-methyl51338-27-342 % similar Clodinafop-propargyl105512-06-941 % similar Haloxyfop-ethoxyethyl87237-48-737 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook