Back to Search
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 Weight:
151.549 g/mol
Names and Synonyms:
Ethyl 2-Chloro-2-(Hydroxyimino)Acetate
Ethyl oximinochloroacetate
Ethyl chloro(hydroxyimino)ethanoate
(Chloro)(hydroxyimino)acetic acid ethyl ester
Ethyl 2-chloro-2-hydroxyiminoacetate
2-Chloro-2-(hydroxyimino)acetic acid ethyl ester
Ethyl chloroximidoacetate
Ethyl chloro(oximino)acetate
Ethyl chloro(oximido)acetate
Ethyl chloro(hydroxyimino)acetate
(Ethoxycarbonyl)formohydroxamoyl chloride
Ethyl chloroglyoxylate 2-oxime
Ethyl (chloroximino)glyoxylate
(Ethoxycarbonyl)hydroxamic acid chloride
(Carbethoxy)chloroformaldoxime
Ethyl 2-chloro-2-(hydroxyimino)acetate
Glyoxylic acid, chloro-, ethyl ester, oxime
Acetic acid, chloro(hydroxyimino)-, ethyl ester
Glyoxylic acid, chloro-, ethyl ester, 2-oxime
Acetic acid, 2-chloro-2-(hydroxyimino)-, ethyl ester
Identifiers:
SMILES:
CCOC(=O)C(Cl)=NO
InChI:
InChI=1S/C4H6ClNO3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 151.55 g/mol | Legacy Database |
| cas-canonical-smile | O=C(OCC)C(Cl)=NO | Legacy Database | |
| cas-inchi | InChI=1S/C4H6ClNO3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=UXOLDCOJRAMLTQ-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 75-76 °C @ Solvent: Hexane | Legacy Database | |
| cas-name | Ethyl 2-chloro-2-(hydroxyimino)acetate | Legacy Database | |
| LogP | 0.5760000000000001 | RDKit | |
| Molecular | Molecular Weight | 151.549 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.003620732 g/mol | RDKit |
| Heavy | Heavy Atom Count | 9 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 58.89 Ų | RDKit |
| Molar | Molar Refractivity | 31.707499999999992 | RDKit |
