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Molecule
Dichloroglyoxime
CAS: 2038-44-0 · C2H2Cl2N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2038-44-0
- Molecular Formula
- C2H2Cl2N2O2
- Molecular Mass
- 156.96 g/mol
Identifiers
CAS Registry Number
2038-44-0
SMILES
ON=C(Cl)C(Cl)=NO
InChI Key
KTQVJAPIQPIIPF-UHFFFAOYSA-N
InChI
InChI=1S/C2H2Cl2N2O2/c3-1(5-7)2(4)6-8/h7-8H
Names and Synonyms
- Dichloroglyoxime Synonym
- Ethanediimidoyl dichloride, N1,N2-dihydroxy- Synonym
- Glyoxime, dichloro- Synonym
- Oxalohydroximoyl chloride Synonym
- Ethanediimidoyl dichloride, dihydroxy- Synonym
- N1,N2-Dihydroxyethanediimidoyl dichloride Synonym
- Oxalyl chloride, dioxime Synonym
- Ethanedioyl dichloride, dioxime Synonym
- Dichloroglyoxime Synonym
- 1,2-Dichloroglyoxime Synonym
- NSC 528431 Synonym
- DCO Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.96 g/mol | CAS Common Chemistry |
| 156.95600000000002 g/mol | RDKit | |
| 156.956 g/mol | RDKit | |
| 156.95 g/mol | chempirical lib | |
| Canonical SMILES | ClC(=NO)C(Cl)=NO | CAS Common Chemistry |
| InChI | InChI=1S/C2H2Cl2N2O2/c3-1(5-7)2(4)6-8/h7-8H | CAS Common Chemistry |
| InChI Key | InChIKey=KTQVJAPIQPIIPF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 201 °C | CAS Common Chemistry |
| Name | Dichloroglyoxime | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 1.0393999999999999 | RDKit |
| 1.0394 | RDKit | |
| Molar Refractivity | 30.149000000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 155.949332664 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
External Resources
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MW = 156.96 g/mol. Edit any field — others recompute live.
