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5-(2-Chloroacetyl)-6-Chlorooxindole
CAS: 118307-04-3 | C10H7Cl2NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
118307-04-3
Molecular Formula:
C10H7Cl2NO2
Molecular Mass:
244.08 g/mol
Names and Synonyms:
5-(2-Chloroacetyl)-6-Chlorooxindole
2H-Indol-2-one, 6-chloro-5-(2-chloroacetyl)-1,3-dihydro-
2H-Indol-2-one, 6-chloro-5-(chloroacetyl)-1,3-dihydro-
6-Chloro-5-(2-chloroacetyl)-1,3-dihydro-2H-indol-2-one
5-(2-Chloroacetyl)-6-chlorooxindole
5-(2-Chloroacetyl)-6-chloro-2-oxindole
6-Chloro-5-chloroacetyl-2-oxoindoline
6-Chloro-5-(2-chloroacetyl)indolin-2-one
6-Chloro-5-(chloroacetyl)oxindole
Identifiers:
SMILES:
O=C1Cc2cc(C(=O)CCl)c(Cl)cc2N1
InChI:
InChI=1S/C10H7Cl2NO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1,3H,2,4H2,(H,13,15)
Key Properties
Melting Point
206-207 °C
CAS Common Chemistry
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
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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 | 244.08 g/mol | CAS Common Chemistry |
| 244.077 g/mol | RDKit | |
| 242.985383824 g/mol | RDKit | |
| Canonical SMILES | O=C1NC2=CC(Cl)=C(C=C2C1)C(=O)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C10H7Cl2NO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1,3H,2,4H2,(H,13,15) | CAS Common Chemistry |
| InChI Key | InChIKey=LWWVMDRRHHCTMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 206-207 °C | CAS Common Chemistry |
| Name | 5-(2-Chloroacetyl)-6-chlorooxindole | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.17 Ų | RDKit |
| LogP | 2.2561 | RDKit |
| Molar Refractivity | 58.83620000000001 | RDKit |
