6-Chloroindole-2-carboxylic acid ethyl ester

C₁₁H₁₀ClNO₂CAS 27034-51-1223.66 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₁H₁₀ClNO₂
Molar mass: 223.66 g/mol
Exact mass: 223.0400 Da
logP: 3.00Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

27034-51-1

SMILES

CCOC(=O)C1=CC2=C(N1)C=C(C=C2)Cl

InChIKey

FSMZLIBWSAMADK-UHFFFAOYSA-N

InChI

InChI=1S/C11H10ClNO2/c1-2-15-11(14)10-5-7-3-4-8(12)6-9(7)13-10/h3-6,13H,2H2,1H3

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Names and synonyms

1 names

Ethyl 6-chloroindole-2-carboxylate

Work with 6-Chloroindole-2-carboxylic acid ethyl ester

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 6-bromoindole-2-carboxylate103858-53-368 % similar Ethyl 6-fluoro-1H-indole-2-carboxylate348-37-868 % similar Ethyl 1H-indole-2-carboxylate3770-50-167 % similar Ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate24334-19-861 % similar Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-359 % similar 2-(Ethoxycarbonyl)-5-bromo-indole16732-70-057 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-157 % similar Ethyl 5-fluoroindole-2-carboxylate348-36-757 % similar

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

Same formula

4-Chloro-6,7-dimethoxyquinoline35654-56-9 Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-0

Elsewhere

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