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Teflubenzuron
CAS: 83121-18-0 | C14H6Cl2F4N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
83121-18-0
Molecular Formula:
C14H6Cl2F4N2O2
Molecular Mass:
381.11 g/mol
Names and Synonyms:
Teflubenzuron
Benzamide, N-[[(3,5-dichloro-2,4-difluorophenyl)amino]carbonyl]-2,6-difluoro-
N-[[(3,5-Dichloro-2,4-difluorophenyl)amino]carbonyl]-2,6-difluorobenzamide
CME 134
CME 134-01
CME 13406
Nomolt
Teflubenzuron
HOE 522
Tefluron
MK 139
OMS 3009
AC 291898
Calicide
Nomolt agro
Ektobann
Telubenzuron
Identifiers:
SMILES:
OC(=Nc1cc(Cl)c(F)c(Cl)c1F)N=C(O)c1c(F)cccc1F
InChI:
InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)
Key Properties
Melting Point
222.5 °C
CAS Common Chemistry
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 | 381.11 g/mol | CAS Common Chemistry |
| 381.112 g/mol | RDKit | |
| 379.974245672 g/mol | RDKit | |
| Canonical SMILES | O=C(NC(=O)C=1C(F)=CC=CC1F)NC2=CC(Cl)=C(F)C(Cl)=C2F | CAS Common Chemistry |
| InChI | InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24) | CAS Common Chemistry |
| InChI Key | InChIKey=CJDWRQLODFKPEL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 222.5 °C | CAS Common Chemistry |
| Name | Teflubenzuron | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 5.100100000000001 | RDKit |
| Molar Refractivity | 81.62560000000002 | RDKit |
