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Molecule
1-(2,6-Dichlorophenyl)Indolin-2-One
CAS: 15362-40-0 · C14H9Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15362-40-0
- Molecular Formula
- C14H9Cl2NO
- Molecular Mass
- 278.14 g/mol
Identifiers
CAS Registry Number
15362-40-0
SMILES
O=C1Cc2ccccc2N1c1c(Cl)cccc1Cl
InChI Key
JCICIFOYVSPMHG-UHFFFAOYSA-N
InChI
InChI=1S/C14H9Cl2NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2
Names and Synonyms
- 1-(2,6-Dichlorophenyl)Indolin-2-One Synonym
- 2H-Indol-2-one, 1-(2,6-dichlorophenyl)-1,3-dihydro- Synonym
- 2-Indolinone, 1-(2,6-dichlorophenyl)- Synonym
- 1-(2,6-Dichlorophenyl)-1,3-dihydro-2H-indol-2-one Synonym
- 1-(2,6-Dichlorophenyl)-2-indolinone Synonym
- 1-(2,6-Dichlorophenyl)oxindole Synonym
- N-(2,6-Dichlorophenyl)-2-indolinone Synonym
- NSC 621845 Synonym
- 1-[2,6-Dichlorophenyl]-1,3-dihydroindol-2-one Synonym
- 1-(2,6-Dichlorophenyl)indolin-2-one Synonym
- Diclofenac-lactam Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.14 g/mol | CAS Common Chemistry |
| 278.138 g/mol | RDKit | |
| 278.132 g/mol | chempirical lib | |
| Canonical SMILES | O=C1N(C=2C=CC=CC2C1)C=3C(Cl)=CC=CC3Cl | CAS Common Chemistry |
| InChI | InChI=1S/C14H9Cl2NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JCICIFOYVSPMHG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 128 °C @ Solvent: Methanol | CAS Common Chemistry |
| Name | 1-(2,6-Dichlorophenyl)indolin-2-one | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 4.214200000000003 | RDKit |
| 4.2142 | RDKit | |
| Molar Refractivity | 73.75400000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 277.006119268 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 278.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H9Cl2NO.
