(E)-N-(2-Chloro-6-methylphenyl)-3-ethoxyacrylamide

C₁₂H₁₄ClNO₂CAS 863127-76-8239.70 g/mol

Open in Covalent MOL file

Alkene Amide Aryl halide Ether

Properties

Molecular formula: C₁₂H₁₄ClNO₂
Molar mass: 239.70 g/mol
Exact mass: 239.0713 Da
logP: 3.14Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4
Double bonds: EE/Z, in SMILES order

Hazards

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

Identifiers

CAS number

863127-76-8

SMILES

CCO/C=C/C(=O)NC1=C(C=CC=C1Cl)C

InChIKey

DBYFNZJHXGNAGW-BQYQJAHWSA-N

InChI

InChI=1S/C12H14ClNO2/c1-3-16-8-7-11(15)14-12-9(2)5-4-6-10(12)13/h4-8H,3H2,1-2H3,(H,14,15)/b8-7+

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Work with (E)-N-(2-Chloro-6-methylphenyl)-3-ethoxyacrylamide

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

Similar compounds

Ethyl o-chlorobenzoate7335-25-338 % similar 3-Ethoxy-2-propenoyl chloride6191-99-737 % similar Ethyl 2-methylbenzoate87-24-136 % similar Ethyl 2-methyl-β-oxobenzenepropanoate51725-82-735 % similar Ethyl 2-hydroxy-6-methylbenzoate6555-40-435 % similar Ethyl 3-ethoxy-2-propenoate1001-26-935 % similar Ethyl (2E)-3-ethoxy-2-propenoate5941-55-935 % similar (3E)-1,1,1-Trichloro-4-ethoxybut-3-en-2-one83124-74-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Clomazone81777-89-1

Elsewhere

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