Back to Search
Novaluron
CAS: 116714-46-6 | C17H9ClF8N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
116714-46-6
Molecular Formula:
C17H9ClF8N2O4
Molecular Mass:
492.71 g/mol
Names and Synonyms:
Novaluron
Benzamide, N-[[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluoro-
N-[[[3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluorobenzamide
Novaluron
Rimon
Diamond (insecticide)
Pedestal
Difluorobenzamide
Oscar Super
Oscar 10CE
Rimon 0.83EC
Identifiers:
SMILES:
OC(=Nc1ccc(OC(F)(F)C(F)OC(F)(F)F)c(Cl)c1)N=C(O)c1c(F)cccc1F
InChI:
InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)
Key Properties
Melting Point
176-179 °C
CAS Common Chemistry
Density
1.66 g/cm³
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 | 492.71 g/mol | CAS Common Chemistry |
| 492.706 g/mol | RDKit | |
| 492.01231020800003 g/mol | RDKit | |
| Density | 1.66 g/cm³ | CAS Common Chemistry |
| 1.66 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(NC(=O)C=1C(F)=CC=CC1F)NC2=CC=C(OC(F)(F)C(F)OC(F)(F)F)C(Cl)=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30) | CAS Common Chemistry |
| InChI Key | InChIKey=NJPPVKZQTLUDBO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 176-179 °C | CAS Common Chemistry |
| Name | Novaluron | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 83.64000000000001 Ų | RDKit |
| LogP | 5.972100000000003 | RDKit |
| Molar Refractivity | 94.31060000000002 | RDKit |
