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Molecule
Enilconazole
CAS: 35554-44-0 · C14H14Cl2N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 35554-44-0
- Molecular Formula
- C14H14Cl2N2O
- Molecular Mass
- 297.19 g/mol
Identifiers
CAS Registry Number
35554-44-0
SMILES
C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChI Key
PZBPKYOVPCNPJY-UHFFFAOYSA-N
InChI
InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2
Names and Synonyms
- Enilconazole Common Name
- 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]- Synonym
- 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]- Synonym
- 1-[2-(2,4-Dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-1H-imidazole Synonym
- Imazalil Synonym
- R 23979 Synonym
- Fungaflor Synonym
- Enilconazole Synonym
- Florasan Synonym
- Fungazil Synonym
- CGA 41333 Synonym
- Deccozil S 75 Synonym
- NuZone Synonym
- FloPro IMZ Synonym
- 1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole Synonym
- (±)-Imazalil Synonym
- Clinafarm Synonym
- Deccosil Synonym
- Deccozil Synonym
- Bromazil Synonym
- Imaverol Synonym
- Amolden MP 100 Synonym
- Magnate Synonym
- (R,S)-1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole Synonym
- Freshgard Synonym
- (RS)-1-[2-(Allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole Synonym
- 1-[2-(Allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.19 g/mol | CAS Common Chemistry |
| 297.18500000000006 g/mol | RDKit | |
| 297.185 g/mol | RDKit | |
| 298.187 g/mol | chempirical lib | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.348 g/cm3 @ 26 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Enilconazole | CAS Common Chemistry |
| Boiling Point | 347 °C | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C(Cl)=C1)C(OCC=C)CN2C=NC=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PZBPKYOVPCNPJY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52.7 °C | CAS Common Chemistry |
| Name | Imazalil | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| 2 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 27.05 Ų | RDKit |
| LogP | 4.133800000000003 | RDKit |
| 4.1338 | RDKit | |
| Molar Refractivity | 77.57900000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2143 | RDKit |
| Exact Mass | 296.04831842799996 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
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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 = 297.19 g/mol; density = 1.350 g/mL. Edit any field — others recompute live.
