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Molecule
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
Identifiers
CAS Registry Number
14337-43-0
SMILES
CCOC(=O)C(Cl)=NO
InChI Key
UXOLDCOJRAMLTQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H6ClNO3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3
Names and Synonyms
- Ethyl 2-Chloro-2-(Hydroxyimino)Acetate Common Name
- Acetic acid, 2-chloro-2-(hydroxyimino)-, ethyl ester Synonym
- Glyoxylic acid, chloro-, ethyl ester, 2-oxime Synonym
- Acetic acid, chloro(hydroxyimino)-, ethyl ester Synonym
- Glyoxylic acid, chloro-, ethyl ester, oxime Synonym
- Ethyl 2-chloro-2-(hydroxyimino)acetate Synonym
- (Carbethoxy)chloroformaldoxime Synonym
- (Ethoxycarbonyl)hydroxamic acid chloride Synonym
- Ethyl (chloroximino)glyoxylate Synonym
- Ethyl chloroglyoxylate 2-oxime Synonym
- (Ethoxycarbonyl)formohydroxamoyl chloride Synonym
- Ethyl chloro(hydroxyimino)acetate Synonym
- Ethyl chloro(oximido)acetate Synonym
- Ethyl chloro(oximino)acetate Synonym
- Ethyl chloroximidoacetate Synonym
- 2-Chloro-2-(hydroxyimino)acetic acid ethyl ester Synonym
- Ethyl 2-chloro-2-hydroxyiminoacetate Synonym
- (Chloro)(hydroxyimino)acetic acid ethyl ester Synonym
- Ethyl chloro(hydroxyimino)ethanoate Synonym
- Ethyl oximinochloroacetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.55 g/mol | CAS Common Chemistry |
| 151.549 g/mol | RDKit | |
| 151.546 g/mol | chempirical lib | |
| 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 |
| 0.576 | RDKit | |
| 0.54 | chempirical lib | |
| Molar Refractivity | 31.707499999999992 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 151.003620732 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
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MW = 151.55 g/mol. Edit any field — others recompute live.
