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Molecule
(O-Chlorophenyl)Maleimide
CAS: 1203-24-3 · C10H6ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1203-24-3
- Molecular Formula
- C10H6ClNO2
- Molecular Mass
- 207.62 g/mol
Identifiers
CAS Registry Number
1203-24-3
SMILES
O=C1C=CC(=O)N1c1ccccc1Cl
InChI Key
KPQOXMCRYWDRSB-UHFFFAOYSA-N
InChI
InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
Names and Synonyms
- (O-Chlorophenyl)Maleimide Common Name
- 1H-Pyrrole-2,5-dione, 1-(2-chlorophenyl)- Synonym
- Maleimide, N-(o-chlorophenyl)- Synonym
- 1-(2-Chlorophenyl)-1H-pyrrole-2,5-dione Synonym
- N-(o-Chlorophenyl)maleimide Synonym
- N-(2-Chlorophenyl)maleimide Synonym
- (o-Chlorophenyl)maleimide Synonym
- 1-(2-Chlorophenyl)pyrrole-2,5-dione Synonym
- 1-(2-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.62 g/mol | CAS Common Chemistry |
| 207.616 g/mol | RDKit | |
| 207.613 g/mol | chempirical lib | |
| 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 |
| 37.15 Ų | chempirical lib | |
| LogP | 1.7693999999999999 | RDKit |
| 1.7694 | RDKit | |
| Molar Refractivity | 53.085000000000015 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 207.008706112 g/mol | RDKit |
| Boiling Point | 137-144 °C @ 0.9 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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.
External Resources
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MW = 207.62 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H6ClNO2.
