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Molecule
Propiconazole
CAS: 60207-90-1 · C15H17Cl2N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 60207-90-1
- Molecular Formula
- C15H17Cl2N3O2
- Molecular Mass
- 342.23 g/mol
Identifiers
CAS Registry Number
60207-90-1
SMILES
CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
InChI Key
STJLVHWMYQXCPB-UHFFFAOYSA-N
InChI
InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
Names and Synonyms
- Propiconazole Synonym
- 1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]- Synonym
- 1-[[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole Synonym
- CGA 64250 Synonym
- Propiconazole Synonym
- CGD 92710F Synonym
- Desmel Synonym
- Proconazole Synonym
- Tilt Synonym
- Tilt 125 Synonym
- Wocosin 50TK Synonym
- Wocosin Synonym
- Radar (insecticide) Synonym
- Cane Sett Treatment Synonym
- Juno Synonym
- Juno (pesticide) Synonym
- Radar Synonym
- Busan 1292 Synonym
- Mycostat P Synonym
- Bumper Synonym
- Bamper 25EC Synonym
- Bamper Synonym
- Banner Maxx Synonym
- Wocosen Technical Synonym
- Tilt Premium Synonym
- Microban S 2140 Synonym
- S 2140 Synonym
- Dhan Synonym
- Fertilome Liquid Systemic Fungicide Synonym
- Microban PZ Synonym
- Orbit Synonym
- Orbit (fungicide) Synonym
- Binghuanzuo Synonym
- Wocosen Synonym
- Wolsit KD 10 Synonym
- Aidol SW 900 Synonym
- Propimax Synonym
- 1-[2-(2,4-Dichlorophenyl)-4-n-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole Synonym
- Woodtreat 10 Synonym
- PPZ Synonym
- PPZ (fungicide) Synonym
- Tilt 3.6EC Synonym
- PropiMax 3.6EC Synonym
- Bumper 41.8EC Synonym
- Preventol A 12 Synonym
- Bumper 250EC Synonym
- Biogard PPZ 250 Synonym
- Biogard PPZ Synonym
- Banner Maxx II Synonym
- Procon-Z 14.3 L Synonym
- Procon-Z Synonym
- Utconazol Synonym
- Echion Synonym
- Preventol A 12TK50 Synonym
- Marazo Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 342.23 g/mol | CAS Common Chemistry |
| 342.2260000000001 g/mol | RDKit | |
| 342.226 g/mol | RDKit | |
| 343.228 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propiconazole | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C(Cl)=C1)C2(OCC(O2)CCC)CN3N=CN=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=STJLVHWMYQXCPB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Propiconazole | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| 4 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 49.17 Ų | RDKit |
| LogP | 3.653400000000003 | RDKit |
| 3.6534 | RDKit | |
| 3.29 | chempirical lib | |
| Molar Refractivity | 83.89500000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4667 | RDKit |
| 0.47 | chempirical lib | |
| Exact Mass | 341.069782144 g/mol | RDKit |
| Boiling Point | 180 °C @ 0.1 Torr | CAS Common Chemistry |
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
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140
120
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.
External Resources
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MW = 342.23 g/mol. Edit any field — others recompute live.
