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Tau-Fluvalinate
CAS: 102851-06-9 | C26H22ClF3N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
102851-06-9
Molecular Formula:
C26H22ClF3N2O3
Molecular Mass:
502.92 g/mol
Names and Synonyms:
Tau-Fluvalinate
D-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-, cyano(3-phenoxyphenyl)methyl ester
Mavrik EW
Spur 22EW
Tau-fluvalinate
Klartan
Fluwarol
Fluvarol
τ-Fluvalinate
Spur
Apistan
Mavrik
Mavrik Aquaflow
Mavrik 2E
Mavrik 25EC
Minadox
Identifiers:
SMILES:
CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1
InChI:
InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 502.92 g/mol | CAS Common Chemistry |
| 502.9200000000002 g/mol | RDKit | |
| 502.12710490399996 g/mol | RDKit | |
| Canonical SMILES | N#CC(OC(=O)C(NC1=CC=C(C=C1Cl)C(F)(F)F)C(C)C)C=2C=CC=C(OC=3C=CC=CC3)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=INISTDXBRIBGOC-XMMISQBUSA-N | CAS Common Chemistry |
| Name | Tau-fluvalinate | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 71.35 Ų | RDKit |
| LogP | 7.395680000000005 | RDKit |
| Molar Refractivity | 126.10669999999999 | RDKit |
