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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
Names and Synonyms:
1-(2,6-Dichlorophenyl)Indolin-2-One
2H-Indol-2-one, 1-(2,6-dichlorophenyl)-1,3-dihydro-
2-Indolinone, 1-(2,6-dichlorophenyl)-
1-(2,6-Dichlorophenyl)-1,3-dihydro-2H-indol-2-one
1-(2,6-Dichlorophenyl)-2-indolinone
1-(2,6-Dichlorophenyl)oxindole
N-(2,6-Dichlorophenyl)-2-indolinone
NSC 621845
1-[2,6-Dichlorophenyl]-1,3-dihydroindol-2-one
1-(2,6-Dichlorophenyl)indolin-2-one
Diclofenac-lactam
Identifiers:
SMILES:
O=C1Cc2ccccc2N1c1c(Cl)cccc1Cl
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
Key Properties
Melting Point
128 °C @ Solvent: Methanol
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.14 g/mol | CAS Common Chemistry |
| 278.138 g/mol | RDKit | |
| 277.006119268 g/mol | RDKit | |
| 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 |
| LogP | 4.214200000000003 | RDKit |
| Molar Refractivity | 73.75400000000002 | RDKit |
