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Molecule
Flusilazole
CAS: 85509-19-9 · C16H15F2N3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 85509-19-9
- Molecular Formula
- C16H15F2N3Si
- Molecular Mass
- 315.40 g/mol
Identifiers
CAS Registry Number
85509-19-9
SMILES
C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1
InChI Key
FQKUGOMFVDPBIZ-UHFFFAOYSA-N
InChI
InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3
Names and Synonyms
- Flusilazole Common Name
- 1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]- Synonym
- 1-[[Bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4-triazole Synonym
- DPX-H 6573 Synonym
- Flusilazole Synonym
- Flusilazol Synonym
- Punch Synonym
- Punch (pesticide) Synonym
- Nustar Synonym
- DPD 78710F Synonym
- DPX-N 6573 Synonym
- Punch 40EC Synonym
- Lyric Synonym
- Olymp Synonym
- Olymp 10EX Synonym
- Sanction Synonym
- Benocarp Synonym
- Punch Bis Synonym
- Capitan Synonym
- Cane Strike Synonym
- Cursor Synonym
- Bis(4-fluorophenyl)methyl(1H-1,2,4-triazole-1-ylmethyl)silane Synonym
- Genie Synonym
- Genie (fungicide) Synonym
- Genie 25 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 315.40 g/mol | CAS Common Chemistry |
| 315.399 g/mol | RDKit | |
| 316.407 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Flusilazole | CAS Common Chemistry |
| Boiling Point | 393.00 °C | CAS Common Chemistry |
| Canonical SMILES | FC1=CC=C(C=C1)[Si](C2=CC=C(F)C=C2)(C)CN3N=CN=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FQKUGOMFVDPBIZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 54 °C | CAS Common Chemistry |
| Name | Flusilazole | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| 2 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 30.71 Ų | RDKit |
| LogP | 1.9885 | RDKit |
| Molar Refractivity | 83.70800000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 315.10033045 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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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.
External Resources
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MW = 315.40 g/mol. Edit any field — others recompute live.
