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Linuron
CAS: 330-55-2 | C9H10Cl2N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
330-55-2
Molecular Formula:
C9H10Cl2N2O2
Molecular Mass:
249.10 g/mol
Names and Synonyms:
Linuron
Urea, N′-(3,4-dichlorophenyl)-N-methoxy-N-methyl-
Urea, 3-(3,4-dichlorophenyl)-1-methoxy-1-methyl-
N′-(3,4-Dichlorophenyl)-N-methoxy-N-methylurea
Afalon
Afalon inuron
3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea
N-(3,4-Dichlorophenyl)-N′-methyl-N′-methoxyurea
Du Pont 326
Herbicide 326
Lorox
1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea
Sinuron
Aphalon
Linuron
Cephalon
N-(3,4-Dichlorophenyl)-N′-methoxy-N′-methylurea
1-(3,4-Dichlorophenyl)-3-methoxy-3-methylurea
3-(3,4-Dichlorophenyl)-1-methyl-1-methoxyurea
Lorex
Du Pont Herbicide 326
Methoxydiuron
3-(3′,4′-Dichlorophenyl)-1-methoxy-1-methylurea
Sarclex
Alfalone
Alfalon
Linurex
Linex
Liron
Afalon Dys. 450SC
Galolin Mono
Linex (herbicide)
Afalon 450 SC
Identifiers:
SMILES:
CON(C)C(O)=Nc1ccc(Cl)c(Cl)c1
InChI:
InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
Key Properties
Melting Point
93-94 °C
CAS Common Chemistry
Density
1.49 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 | 249.10 g/mol | CAS Common Chemistry |
| 249.09699999999998 g/mol | RDKit | |
| 248.01193292 g/mol | RDKit | |
| Density | 1.49 g/cm³ | CAS Common Chemistry |
| 1.49 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(NC1=CC=C(Cl)C(Cl)=C1)N(OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14) | CAS Common Chemistry |
| InChI Key | InChIKey=XKJMBINCVNINCA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93-94 °C | CAS Common Chemistry |
| Name | Linuron | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 45.06 Ų | RDKit |
| LogP | 3.0321000000000007 | RDKit |
| Molar Refractivity | 60.95780000000003 | RDKit |
