2-(Ethoxycarbonyl)-5-bromo-indole

C₁₁H₁₀BrNO₂CAS 16732-70-0268.11 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₁H₁₀BrNO₂
Molar mass: 268.11 g/mol
Exact mass: 266.9895 Da
logP: 3.11Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

16732-70-0

SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)Br

InChIKey

LWRLKENDQISGEU-UHFFFAOYSA-N

InChI

InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3

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

Names and synonyms

1 names

Ethyl 5-Bromoindole-2-carboxylate

Work with 2-(Ethoxycarbonyl)-5-bromo-indole

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 5-hydroxy-1H-indole-2-carboxylate24985-85-172 % similar Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-370 % similar Ethyl 5-fluoroindole-2-carboxylate348-36-768 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-068 % similar Ethyl 1H-indole-2-carboxylate3770-50-167 % similar Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-967 % similar Ethyl 5-nitroindole-2-carboxylate16732-57-361 % similar Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate175203-82-461 % similar

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

Same formula

4-Bromoindole-2-carboxylic acid ethyl ester103858-52-2 Ethyl 6-bromoindole-2-carboxylate103858-53-3 N-(3-Bromopropyl)phthalimide5460-29-7

Elsewhere

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