Ethyl 4,6-dichloro-1H-indole-2-carboxylate

C₁₁H₉Cl₂NO₂CAS 53995-82-7258.10 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₁H₉Cl₂NO₂
Molar mass: 258.10 g/mol
Exact mass: 257.0010 Da
logP: 3.65Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

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

53995-82-7

SMILES

CCOC(=O)C1=CC2=C(N1)C=C(C=C2Cl)Cl

InChIKey

YLAHLUPONQVSOT-UHFFFAOYSA-N

InChI

InChI=1S/C11H9Cl2NO2/c1-2-16-11(15)10-5-7-8(13)3-6(12)4-9(7)14-10/h3-5,14H,2H2,1H3

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Names and synonyms

1 names

Ethyl 4,6-dichloroindole-2-carboxylate

Work with Ethyl 4,6-dichloro-1H-indole-2-carboxylate

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

6-Chloroindole-2-carboxylic acid ethyl ester27034-51-164 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-061 % similar 4,6-Dichloro-1H-indole-2-carboxylic acid101861-63-657 % similar 4-Bromoindole-2-carboxylic acid ethyl ester103858-52-255 % similar Ethyl 2,4-dichlorobenzoate56882-52-153 % similar Ethyl 3,5-dichlorobenzoate91085-56-252 % similar Ethyl 1H-indole-2-carboxylate3770-50-152 % similar Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate187725-00-450 % similar

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

Same formula

Barban101-27-9

Elsewhere

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