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Enilconazole
CAS: 35554-44-0 | C14H14Cl2N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
35554-44-0
Molecular Formula:
C14H14Cl2N2O
Molecular Mass:
297.19 g/mol
Names and Synonyms:
Enilconazole
1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-
1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-
1-[2-(2,4-Dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-1H-imidazole
Imazalil
R 23979
Fungaflor
Enilconazole
Florasan
Fungazil
CGA 41333
Deccozil S 75
NuZone
FloPro IMZ
1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole
(±)-Imazalil
Clinafarm
Deccosil
Deccozil
Bromazil
Imaverol
Amolden MP 100
Magnate
(R,S)-1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole
Freshgard
(RS)-1-[2-(Allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
1-[2-(Allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
Identifiers:
SMILES:
C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl
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
Key Properties
Boiling Point
347 °C
CAS Common Chemistry
Melting Point
52.7 °C
CAS Common Chemistry
Density
1.35 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.19 g/mol | CAS Common Chemistry |
| 297.18500000000006 g/mol | RDKit | |
| 296.04831842799996 g/mol | RDKit | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.348 g/cm3 @ Temp: 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 |
| Enilconazole | CAS Common Chemistry | |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | 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 |
| Molar Refractivity | 77.57900000000004 | RDKit |
