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Ethyl (2Z)-2-Chloro-2-[2-(4-Methoxyphenyl)Hydrazinylidene]Acetate
CAS: 473927-63-8 | C11H13ClN2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
473927-63-8
Molecular Formula:
C11H13ClN2O3
Molecular Mass:
256.69 g/mol
Names and Synonyms:
Ethyl (2Z)-2-Chloro-2-[2-(4-Methoxyphenyl)Hydrazinylidene]Acetate
Acetic acid, 2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene]-, ethyl ester, (2Z)-
Acetic acid, chloro[(4-methoxyphenyl)hydrazono]-, ethyl ester, (2Z)-
Ethyl (2Z)-2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene]acetate
(Z)-Ethyl 2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetate
Identifiers:
SMILES:
CCOC(=O)/C(Cl)=N/Nc1ccc(OC)cc1
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/b14-10-
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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40
20
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.69 g/mol | CAS Common Chemistry |
| 256.689 g/mol | RDKit | |
| 256.061469956 g/mol | RDKit | |
| 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/b14-10- | CAS Common Chemistry |
| InChI Key | InChIKey=ATNPZEGMKLGIFA-UVTDQMKNSA-N | CAS Common Chemistry |
| Name | Ethyl (2Z)-2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene]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 | RDKit |
