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(O-Chlorophenyl)Maleimide
CAS: 1203-24-3 | C10H6ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1203-24-3
Molecular Formula:
C10H6ClNO2
Molecular Mass:
207.62 g/mol
Names and Synonyms:
(O-Chlorophenyl)Maleimide
1H-Pyrrole-2,5-dione, 1-(2-chlorophenyl)-
Maleimide, N-(o-chlorophenyl)-
1-(2-Chlorophenyl)-1H-pyrrole-2,5-dione
N-(o-Chlorophenyl)maleimide
N-(2-Chlorophenyl)maleimide
(o-Chlorophenyl)maleimide
1-(2-Chlorophenyl)pyrrole-2,5-dione
1-(2-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
Identifiers:
SMILES:
O=C1C=CC(=O)N1c1ccccc1Cl
InChI:
InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
Key Properties
Boiling Point
137-144 °C @ Press: 0.9 Torr
CAS Common Chemistry
Melting Point
59-60 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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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 |
|---|
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 | 207.62 g/mol | CAS Common Chemistry |
| 207.616 g/mol | RDKit | |
| 207.008706112 g/mol | RDKit | |
| Boiling Point | 137-144 °C @ Press: 0.9 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1C=CC(=O)N1C=2C=CC=CC2Cl | CAS Common Chemistry |
| InChI | InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H | CAS Common Chemistry |
| InChI Key | InChIKey=KPQOXMCRYWDRSB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 59-60 °C | CAS Common Chemistry |
| Name | (o-Chlorophenyl)maleimide | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 1.7693999999999999 | RDKit |
| Molar Refractivity | 53.085000000000015 | RDKit |
