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Ethyl 2-Chloro-2-(Hydroxyimino)Acetate
CAS: 14337-43-0 | C4H6ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14337-43-0
Molecular Formula:
C4H6ClNO3
Molecular Mass:
151.55 g/mol
Names and Synonyms:
Ethyl 2-Chloro-2-(Hydroxyimino)Acetate
Acetic acid, 2-chloro-2-(hydroxyimino)-, ethyl ester
Glyoxylic acid, chloro-, ethyl ester, 2-oxime
Acetic acid, chloro(hydroxyimino)-, ethyl ester
Glyoxylic acid, chloro-, ethyl ester, oxime
Ethyl 2-chloro-2-(hydroxyimino)acetate
(Carbethoxy)chloroformaldoxime
(Ethoxycarbonyl)hydroxamic acid chloride
Ethyl (chloroximino)glyoxylate
Ethyl chloroglyoxylate 2-oxime
(Ethoxycarbonyl)formohydroxamoyl chloride
Ethyl chloro(hydroxyimino)acetate
Ethyl chloro(oximido)acetate
Ethyl chloro(oximino)acetate
Ethyl chloroximidoacetate
2-Chloro-2-(hydroxyimino)acetic acid ethyl ester
Ethyl 2-chloro-2-hydroxyiminoacetate
(Chloro)(hydroxyimino)acetic acid ethyl ester
Ethyl chloro(hydroxyimino)ethanoate
Ethyl oximinochloroacetate
Identifiers:
SMILES:
CCOC(=O)C(Cl)=NO
InChI:
InChI=1S/C4H6ClNO3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3
Key Properties
Melting Point
75-76 °C @ Solvent: Hexane
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 | 151.55 g/mol | CAS Common Chemistry |
| 151.549 g/mol | RDKit | |
| 151.003620732 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC)C(Cl)=NO | CAS Common Chemistry |
| InChI | InChI=1S/C4H6ClNO3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UXOLDCOJRAMLTQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75-76 °C @ Solvent: Hexane | CAS Common Chemistry |
| Name | Ethyl 2-chloro-2-(hydroxyimino)acetate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.89 Ų | RDKit |
| LogP | 0.5760000000000001 | RDKit |
| Molar Refractivity | 31.707499999999992 | RDKit |
