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Molecule
Fluazinam
CAS: 79622-59-6 · C13H4Cl2F6N4O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 79622-59-6
- Molecular Formula
- C13H4Cl2F6N4O4
- Molecular Mass
- 465.09 g/mol
Identifiers
CAS Registry Number
79622-59-6
SMILES
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl
InChI Key
UZCGKGPEKUCDTF-UHFFFAOYSA-N
InChI
InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)
Names and Synonyms
- Fluazinam Synonym
- 2-Pyridinamine, 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)- Synonym
- 3-Chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine Synonym
- N-(3-Chloro-5-trifluoromethyl-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline Synonym
- PP 192 Synonym
- IKF 1216 Synonym
- Shirlan Flow Synonym
- Fluazinam Synonym
- Frowncide Synonym
- ASC 67178 Synonym
- ASC 66825 Synonym
- Shirlan Synonym
- Shirlan (Zeneca) Synonym
- Altima Synonym
- Frowncide SC Synonym
- Omega Synonym
- Omega (pesticide) Synonym
- Sekoya Synonym
- Mapro Synonym
- Ohayo Synonym
- Zignal Synonym
- 3-Chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-α,α,α-trifluoro-2,6-dinitro-p-toluidine Synonym
- Lektivar 40SC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 465.09 g/mol | CAS Common Chemistry |
| 465.0930000000001 g/mol | RDKit | |
| 465.093 g/mol | RDKit | |
| 465.087 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fluazinam | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)C=1C=C(C(Cl)=C(C1NC2=NC=C(C=C2Cl)C(F)(F)F)N(=O)=O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23) | CAS Common Chemistry |
| InChI Key | InChIKey=UZCGKGPEKUCDTF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 113 °C | CAS Common Chemistry |
| Name | Fluazinam | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 111.2 Ų | RDKit |
| 100.99 Ų | chempirical lib | |
| LogP | 5.9860000000000015 | RDKit |
| 5.986 | RDKit | |
| Molar Refractivity | 87.29449999999999 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1538 | RDKit |
| 0.15 | chempirical lib | |
| Exact Mass | 463.95137928800006 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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100
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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.
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MW = 465.09 g/mol. Edit any field — others recompute live.
