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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
Names and Synonyms:
Iprodione
1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-
3-(3,5-Dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide
RP 26019
Rovral
Glycophen
LFA 2043
Glycophene
Promidione
Iprodione
Chipco 26019
Iprodial
Rovral Flo
Verisan
Rovral 50WP
Rovral PM
Quintalic
Rovral Green GT
Xiuan
Kidan
Iprodin
Rovral 500 Aqua
Rovral Flo 255SC
Rovral Aquaflo
Civet
Junheling
Yijunniao
Botrix
Identifiers:
SMILES:
CC(C)N=C(O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
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)
Key Properties
Melting Point
136 °C (approx)
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 | 330.17 g/mol | CAS Common Chemistry |
| 330.17100000000005 g/mol | RDKit | |
| 329.03339663599996 g/mol | RDKit | |
| 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 |
| LogP | 3.0844000000000014 | RDKit |
| Molar Refractivity | 81.24980000000004 | RDKit |
