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Molecule
Procymidone
CAS: 32809-16-8 · C13H11Cl2NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 32809-16-8
- Molecular Formula
- C13H11Cl2NO2
- Molecular Mass
- 284.14 g/mol
Identifiers
CAS Registry Number
32809-16-8
SMILES
CC12CC1(C)C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O
InChI Key
QXJKBPAVAHBARF-UHFFFAOYSA-N
InChI
InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3
Names and Synonyms
- Procymidone Common Name
- 3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-(3,5-dichlorophenyl)-1,5-dimethyl- Synonym
- 1,2-Cyclopropanedicarboximide, N-(3,5-dichlorophenyl)-1,2-dimethyl- Synonym
- 3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione Synonym
- 1,2-Dimethyl-N-(3,5-dichlorophenyl)cyclopropanedicarboximide Synonym
- S 7131 Synonym
- Sumilex Synonym
- Sumisclex Synonym
- Dicyclidine Synonym
- Procymidone Synonym
- Procymidor Synonym
- Procymidox Synonym
- Sialex Synonym
- Dicyclidine (pesticide) Synonym
- Sumilex 50WP Synonym
- Salithiex Synonym
- Kenolex Synonym
- Procilex Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.14 g/mol | CAS Common Chemistry |
| 284.14200000000005 g/mol | RDKit | |
| 284.142 g/mol | RDKit | |
| 284.136 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Procymidone | CAS Common Chemistry |
| Canonical SMILES | O=C1N(C=2C=C(Cl)C=C(Cl)C2)C(=O)C3(C)CC13C | CAS Common Chemistry |
| InChI | InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QXJKBPAVAHBARF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 166 °C | CAS Common Chemistry |
| Name | Procymidone | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| 37.15 Ų | chempirical lib | |
| LogP | 3.2829000000000024 | RDKit |
| 3.2829 | RDKit | |
| 3.1 | chempirical lib | |
| Molar Refractivity | 69.78600000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3846 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 283.016683952 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
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MW = 284.14 g/mol. Edit any field — others recompute live.
