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Chlortoluron
CAS: 15545-48-9 | C10H13ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15545-48-9
Molecular Formula:
C10H13ClN2O
Molecular Mass:
212.68 g/mol
Names and Synonyms:
Chlortoluron
Urea, N′-(3-chloro-4-methylphenyl)-N,N-dimethyl-
Urea, 3-(3-chloro-p-tolyl)-1,1-dimethyl-
N′-(3-Chloro-4-methylphenyl)-N,N-dimethylurea
Chlorotoluron
Chlortoluron
1-(3-Chloro-4-methylphenyl)-3,3-dimethylurea
N-(3-Chloro-4-methylphenyl)-N′,N′-dimethylurea
Dicuran
1-(3-Chloro-4-methyl)-3,3-dimethylurea
3-(3-Chloro-p-tolyl)-1,1-dimethylurea
N,N-Dimethyl-N′-(3-chloro-4-methylphenyl)urea
CGA 15646
Syncuran 80DP
Syncuran
N-(3-Chloro-4-tolyl)-N′,N′-dimethylurea
Lentipur Forte
Tolurex
Dicuran 500FL
C 2242
1,1-Dimethyl-3-(3-chloro-4-methylphenyl)urea
Lentipur Flo
Lentipur
Lentipur 500SC
Tolurgan
Klortosan
3-(3-Chloro-4-methylphenyl)-1,1-dimethylurea
Shvat SC
Identifiers:
SMILES:
Cc1ccc(N=C(O)N(C)C)cc1Cl
InChI:
InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
Key Properties
Melting Point
147-148 °C
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 | 212.68 g/mol | CAS Common Chemistry |
| 212.071640716 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlortoluron | CAS Common Chemistry |
| Canonical SMILES | O=C(NC1=CC=C(C(Cl)=C1)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14) | CAS Common Chemistry |
| InChI Key | InChIKey=JXCGFZXSOMJFOA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 147-148 °C | CAS Common Chemistry |
| Name | Chlortoluron | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.830000000000005 Ų | RDKit |
| LogP | 2.7555200000000015 | RDKit |
| Molar Refractivity | 59.59980000000003 | RDKit |
