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3-(4-Chlorophenyl)-1,1-Dimethylurea
CAS: 150-68-5 | C9H11ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
150-68-5
Molecular Formula:
C9H11ClN2O
Molecular Mass:
198.65 g/mol
Names and Synonyms:
3-(4-Chlorophenyl)-1,1-Dimethylurea
Urea, N′-(4-chlorophenyl)-N,N-dimethyl-
Urea, 3-(p-chlorophenyl)-1,1-dimethyl-
N′-(4-Chlorophenyl)-N,N-dimethylurea
N-(p-Chlorophenyl)-N′,N′-dimethylurea
1-(p-Chlorophenyl)-3,3-dimethylurea
3-(p-Chlorophenyl)-1,1-dimethylurea
3-(4-Chlorophenyl)-1,1-dimethylurea
CMU
1,1-Dimethyl-3-(p-chlorophenyl)urea
Karmex Monuron Herbicide
Karmex W. monuron herbicide
Monuron
Telvar
Telvar Monuron Weedkiller
Telvar W. monuron weedkiller
N,N-Dimethyl-N′-(4-chlorophenyl)urea
N-(4-Chlorophenyl)-N′,N′-dimethylurea
1-(4-Chlorophenyl)-3,3-dimethylurea
1,1-Dimethyl-3-(4-chlorophenyl)urea
NSC 8949
N′-p-Chlorophenyl-N,N-dimethylurea
Chlorfenidim
Identifiers:
SMILES:
CN(C)C(=O)Nc1ccc(Cl)cc1
InChI:
InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
Key Properties
Melting Point
170.5-171.5 °C
CAS Common Chemistry
Density
1.27 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 | 198.65 g/mol | CAS Common Chemistry |
| 198.653 g/mol | RDKit | |
| 198.055990652 g/mol | RDKit | |
| Density | 1.27 g/cm³ | CAS Common Chemistry |
| 1.27 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(NC1=CC=C(Cl)C=C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13) | CAS Common Chemistry |
| InChI Key | InChIKey=BMLIZLVNXIYGCK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170.5-171.5 °C | CAS Common Chemistry |
| Name | 3-(4-Chlorophenyl)-1,1-dimethylurea | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.34 Ų | RDKit |
| LogP | 2.4335000000000004 | RDKit |
| Molar Refractivity | 54.15770000000003 | RDKit |
