Ethyl 3-bromoindole-2-carboxylate

C₁₁H₁₀BrNO₂CAS 91348-45-7268.11 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

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

91348-45-7

SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)Br

InChIKey

DRJWEOYWZOGNQU-UHFFFAOYSA-N

InChI

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

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Work with Ethyl 3-bromoindole-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

Ethyl indole-3-carboxylate776-41-053 % similar Ethyl 3-indazolecarboxylate4498-68-452 % similar Ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate21139-32-251 % similar Ethyl 1H-indole-2-carboxylate3770-50-150 % similar 4-Hydroxyquinoline-3-carboxylic acid ethyl ester26892-90-049 % similar 1H-Benzoimidazole-2-carboxylic acid ethyl ester1865-09-449 % similar Ethyl 2-bromobenzoate6091-64-149 % similar Diethyl phthalate84-66-248 % 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 2-(Ethoxycarbonyl)-5-bromo-indole16732-70-0 N-(3-Bromopropyl)phthalimide5460-29-7

Elsewhere

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