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Molecule
Iprodione
CAS: 36734-19-7 · C13H13Cl2N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 36734-19-7
- Molecular Formula
- C13H13Cl2N3O3
- Molecular Mass
- 330.17 g/mol
Identifiers
CAS Registry Number
36734-19-7
SMILES
CC(C)N=C(O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChI Key
ONUFESLQCSAYKA-UHFFFAOYSA-N
InChI
InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)
Names and Synonyms
- Iprodione Common Name
- 1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo- Synonym
- 3-(3,5-Dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide Synonym
- RP 26019 Synonym
- Rovral Synonym
- Glycophen Synonym
- LFA 2043 Synonym
- Glycophene Synonym
- Promidione Synonym
- Iprodione Synonym
- Chipco 26019 Synonym
- Iprodial Synonym
- Rovral Flo Synonym
- Verisan Synonym
- Rovral 50WP Synonym
- Rovral PM Synonym
- Quintalic Synonym
- Rovral Green GT Synonym
- Xiuan Synonym
- Kidan Synonym
- Iprodin Synonym
- Rovral 500 Aqua Synonym
- Rovral Flo 255SC Synonym
- Rovral Aquaflo Synonym
- Civet Synonym
- Junheling Synonym
- Yijunniao Synonym
- Botrix Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 330.17 g/mol | CAS Common Chemistry |
| 330.17100000000005 g/mol | RDKit | |
| 330.171 g/mol | RDKit | |
| 330.165 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iprodione | CAS Common Chemistry |
| Canonical SMILES | O=C(NC(C)C)N1C(=O)N(C(=O)C1)C=2C=C(Cl)C=C(Cl)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20) | CAS Common Chemistry |
| InChI Key | InChIKey=ONUFESLQCSAYKA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 136 °C (approx) | CAS Common Chemistry |
| Name | Iprodione | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 73.21000000000001 Ų | RDKit |
| 73.21 Ų | RDKit | |
| 72.75 Ų | chempirical lib | |
| LogP | 3.0844000000000014 | RDKit |
| 3.0844 | RDKit | |
| Molar Refractivity | 81.24980000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3077 | RDKit |
| 0.31 | chempirical lib | |
| Exact Mass | 329.03339663599996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
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MW = 330.17 g/mol. Edit any field — others recompute live.
