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Molecule
Ethyl 2-Chloro-2-[2-(4-Methoxyphenyl)Hydrazono]Acetate
CAS: 27143-07-3 · C11H13ClN2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 27143-07-3
- Molecular Formula
- C11H13ClN2O3
- Molecular Mass
- 256.69 g/mol
Identifiers
CAS Registry Number
27143-07-3
SMILES
CCOC(=O)C(Cl)=NNc1ccc(OC)cc1
InChI Key
ATNPZEGMKLGIFA-UHFFFAOYSA-N
InChI
InChI=1S/C11H13ClN2O3/c1-3-17-11(15)10(12)14-13-8-4-6-9(16-2)7-5-8/h4-7,13H,3H2,1-2H3
Names and Synonyms
- Ethyl 2-Chloro-2-[2-(4-Methoxyphenyl)Hydrazono]Acetate Common Name
- Acetic acid, 2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene]-, ethyl ester Synonym
- Glyoxylic acid, chloro-, ethyl ester, 2-[(p-methoxyphenyl)hydrazone] Synonym
- Acetic acid, chloro[(4-methoxyphenyl)hydrazono]-, ethyl ester Synonym
- Chloro[(4-methoxyphenyl)hydrazono]acetic acid ethyl ester Synonym
- Ethyl chloro[(4-methoxyphenyl)hydrazono]acetate Synonym
- Ethyl 2-chloro-2-[2-(4-methoxyphenyl)hydrazono]acetate Synonym
- Ethyl 2-chloro-2-[(4-methoxyphenyl)hydrazinylidene]acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.69 g/mol | CAS Common Chemistry |
| 256.689 g/mol | RDKit | |
| 256.686 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OCC)C(Cl)=NNC1=CC=C(OC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H13ClN2O3/c1-3-17-11(15)10(12)14-13-8-4-6-9(16-2)7-5-8/h4-7,13H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ATNPZEGMKLGIFA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Ethyl 2-chloro-2-[2-(4-methoxyphenyl)hydrazono]acetate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 59.92 Ų | RDKit |
| LogP | 2.2225 | RDKit |
| Molar Refractivity | 66.53770000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 256.061469956 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 256.69 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H13ClN2O3.
