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Dcmu
CAS: 330-54-1 | C9H10Cl2N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
330-54-1
Molecular Formula:
C9H10Cl2N2O
Molecular Weight:
233.09799999999998 g/mol
Names and Synonyms:
Dcmu
Dichlorfenidim
B 605IM
DCMUH
Epiclon B 605IM
Biocut DC 100
UR 200
Diurex
Dyhard 200
101S
Cardi
SM 400 (curing agent)
SM 400
Direx
Dironet
Dironzol
DCMU 9
Dairon
NSC 8950
Karmax
Diuron Nortox
HRT Dinron
Preventol A 6
N,N-Dimethyl-N′-(3,4-dichlorophenyl)urea
Dyhard UR 200
DCMU 99
DCMC
Lucenit
DP Hardener 95
Karmex D
HW 920
Herbatox
DMU
1-(3,4-Dichlorophenyl)-3,3-dimethylurea
Telvar Diuron Weed Killer
Marmer
Karmex DW
Karmex Diuron Herbicide
Karmex
Duran
Diuron
1,1-Dimethyl-3-(3,4-dichlorophenyl)urea
N-(3,4-Dichlorophenyl)-N′,N′-dimethylurea
DCMU
N′-(3,4-Dichlorophenyl)-N,N-dimethylurea
Urea, 3-(3,4-dichlorophenyl)-1,1-dimethyl-
Urea, N′-(3,4-dichlorophenyl)-N,N-dimethyl-
3-(3,4-Dichlorophenyl)-1,1-dimethylurea
Identifiers:
SMILES:
CN(C)C(O)=Nc1ccc(Cl)c(Cl)c1
InChI:
InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 233.10 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/DCMU None | Legacy Database |
| cas-canonical-smile | O=C(NC1=CC=C(Cl)C(Cl)=C1)N(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14) None | Legacy Database |
| cas-inchi-key | InChIKey=XMTQQYYKAHVGBJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 158-159 °C None | Legacy Database |
| cas-name | Diuron None | Legacy Database |
| wikipedia-name | DCMU None | Legacy Database |
| LogP | 3.100500000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 233.09799999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 232.0170183 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 14 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.83 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 59.872800000000026 | RDKit |
