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N-(2,4,6-Trichlorophenyl)Maleimide
CAS: 13167-25-4 | C10H4Cl3NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13167-25-4
Molecular Formula:
C10H4Cl3NO2
Molecular Mass:
276.51 g/mol
Names and Synonyms:
N-(2,4,6-Trichlorophenyl)Maleimide
1H-Pyrrole-2,5-dione, 1-(2,4,6-trichlorophenyl)-
Maleimide, N-(2,4,6-trichlorophenyl)-
1-(2,4,6-Trichlorophenyl)-1H-pyrrole-2,5-dione
N-(2,4,6-Trichlorophenyl)maleimide
IT 354
2,4,6-Trichlorophenylmaleimide
1-(2,4,6-Trichlorophenyl)pyrrole-2,5-dione
Identifiers:
SMILES:
O=C1C=CC(=O)N1c1c(Cl)cc(Cl)cc1Cl
InChI:
InChI=1S/C10H4Cl3NO2/c11-5-3-6(12)10(7(13)4-5)14-8(15)1-2-9(14)16/h1-4H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 276.51 g/mol | CAS Common Chemistry |
| 276.50600000000003 g/mol | RDKit | |
| 274.93076140799997 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1C=2C(Cl)=CC(Cl)=CC2Cl | CAS Common Chemistry |
| InChI | InChI=1S/C10H4Cl3NO2/c11-5-3-6(12)10(7(13)4-5)14-8(15)1-2-9(14)16/h1-4H | CAS Common Chemistry |
| InChI Key | InChIKey=VHZJMAJCUAWIHV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(2,4,6-Trichlorophenyl)maleimide | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 |
| LogP | 3.076200000000001 | RDKit |
| Molar Refractivity | 63.10500000000001 | RDKit |
