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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 Weight:
342.2260000000001 g/mol
Names and Synonyms:
Propiconazole
1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-
1-[[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole
CGA 64250
Propiconazole
CGD 92710F
Desmel
Proconazole
Tilt
Tilt 125
Wocosin 50TK
Wocosin
Radar (insecticide)
Cane Sett Treatment
Juno
Juno (pesticide)
Radar
Busan 1292
Mycostat P
Bumper
Bamper 25EC
Bamper
Banner Maxx
Wocosen Technical
Tilt Premium
Microban S 2140
S 2140
Dhan
Fertilome Liquid Systemic Fungicide
Microban PZ
Orbit
Orbit (fungicide)
Binghuanzuo
Wocosen
Wolsit KD 10
Aidol SW 900
Propimax
1-[2-(2,4-Dichlorophenyl)-4-n-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole
Woodtreat 10
PPZ
PPZ (fungicide)
Tilt 3.6EC
PropiMax 3.6EC
Bumper 41.8EC
Preventol A 12
Bumper 250EC
Biogard PPZ 250
Biogard PPZ
Banner Maxx II
Procon-Z 14.3 L
Procon-Z
Utconazol
Echion
Preventol A 12TK50
Marazo
Identifiers:
SMILES:
CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 342.23 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Propiconazole None | Legacy Database |
| cas-boiling-point | 180 °C @ Press: 0.1 Torr None | Legacy Database |
| cas-canonical-smile | ClC1=CC=C(C(Cl)=C1)C2(OCC(O2)CCC)CN3N=CN=C3 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=STJLVHWMYQXCPB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | <25 °C None | Legacy Database |
| cas-name | Propiconazole None | Legacy Database |
| wikipedia-name | Propiconazole None | Legacy Database |
| LogP | 3.653400000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 342.2260000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 341.069782144 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 22 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 49.17 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 83.89500000000004 | RDKit |
