Ethyl 2-chloro-2-[2-(4-methoxyphenyl)hydrazono]acetate

C₁₁H₁₃ClN₂O₃CAS 27143-07-3256.69 g/mol

Open in Covalent MOL file

Ester Ether Hydrazone Secondary amine

Properties

Molecular formula: C₁₁H₁₃ClN₂O₃
Molar mass: 256.69 g/mol
Exact mass: 256.0615 Da
Melting point: 94 °C
logP: 2.22Crippen estimate
Polar surface area: 59.9 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

27143-07-3

SMILES

CCOC(=O)C(Cl)=NNc1ccc(OC)cc1

InChIKey

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Acetic acid, 2-chloro-2-[2-(4-methoxyphenyl)hydrazinylidene]-, ethyl ester
Glyoxylic acid, chloro-, ethyl ester, 2-[(p-methoxyphenyl)hydrazone]
Acetic acid, chloro[(4-methoxyphenyl)hydrazono]-, ethyl ester
Chloro[(4-methoxyphenyl)hydrazono]acetic acid ethyl ester
Ethyl chloro[(4-methoxyphenyl)hydrazono]acetate
Ethyl 2-chloro-2-[(4-methoxyphenyl)hydrazinylidene]acetate

Work with Ethyl 2-chloro-2-[2-(4-methoxyphenyl)hydrazono]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 (2Z)-2-chloro-2-(2-(4-methoxyphenyl)hydrazinylidene)acetate473927-63-8Defined stereoisomer

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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