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6-Chlorooxindole
CAS: 56341-37-8 | C8H6ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
56341-37-8
Molecular Formula:
C8H6ClNO
Molecular Mass:
167.60 g/mol
Names and Synonyms:
6-Chlorooxindole
2H-Indol-2-one, 6-chloro-1,3-dihydro-
6-Chloro-1,3-dihydro-2H-indol-2-one
6-Chloro-2-oxoindoline
6-Chlorooxindole
6-Chloro-2-oxindole
6-Chloro-1,3-dihydroindol-2-one
6-Chloro-2-indolinone
Identifiers:
SMILES:
OC1=Nc2cc(Cl)ccc2C1
InChI:
InChI=1S/C8H6ClNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
Key Properties
Melting Point
196-198 °C
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 | 167.60 g/mol | CAS Common Chemistry |
| 167.59499999999997 g/mol | RDKit | |
| 167.013791492 g/mol | RDKit | |
| Canonical SMILES | O=C1NC2=CC(Cl)=CC=C2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H6ClNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=CENVPIZOTHULGJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 196-198 °C | CAS Common Chemistry |
| Name | 6-Chlorooxindole | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 2.4841000000000006 | RDKit |
| Molar Refractivity | 44.87980000000002 | RDKit |
