Ethyl (2Z)-2-chloro-2-(2-(4-methoxyphenyl)hydrazinylidene)acetate

C11H13ClN2O3CAS 473927-63-8256.69 g/mol

Open in Covalent MOL file
OOClNHNO
EsterEtherHydrazoneSecondary amine

Properties

Molecular formula
C11H13ClN2O3
Molar mass
256.69 g/mol
Exact mass
256.0615 Da
logP
2.22Crippen estimate
Polar surface area
59.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
473927-63-8
SMILES
CCOC(=O)/C(Cl)=N/Nc1ccc(OC)cc1
InChIKey
ATNPZEGMKLGIFA-UVTDQMKNSA-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/b14-10-

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Names and synonyms

4 names
  • 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)-
  • (Z)-Ethyl 2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetate

Work with Ethyl (2Z)-2-chloro-2-(2-(4-methoxyphenyl)hydrazinylidene)acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ethyl 2-chloro-2-[2-(4-methoxyphenyl)hydrazono]acetate27143-07-3Stereo not defined

Similar compounds

Ethyl 2-(4-methoxyphenyl)-2-oxoacetate40140-16-752 % similar Ethyl 4-methoxybenzoate94-30-446 % similar Ethyl 2-chloro-2-(hydroxyimino)acetate14337-43-044 % similar Ethyl 4-methoxyphenylacetate14062-18-144 % similar Ethyl 4'-methoxy[1,1'-biphenyl]-4-carboxylate732-80-943 % similar Ethyl methoxycinnamate24393-56-441 % similar Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate2881-83-641 % similar 2-Chloro-N-(4-methoxyphenyl)acetamide22303-36-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl (4-chloro-3-formylpyridin-2-yl)carbamate868736-42-9 tert-Butyl (2-chloro-3-formylpyridin-4-yl)carbamate893423-62-6

Elsewhere

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