Ethyl 6-bromoindole-2-carboxylate

C₁₁H₁₀BrNO₂CAS 103858-53-3268.11 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

103858-53-3

SMILES

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

InChIKey

FVMZWWFKRMBNSZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H10BrNO2/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

6-Bromo-1H-indole-2-carboxylic acid ethyl ester

Work with Ethyl 6-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 6-fluoro-1H-indole-2-carboxylate348-37-868 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-161 % similar Ethyl 5-fluoroindole-2-carboxylate348-36-757 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-057 % similar Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-956 % similar 6-Bromo-1H-indole-2-carboxylic acid16732-65-355 % similar Ethyl 4-bromobenzoate5798-75-452 % similar Ethyl 3-bromobenzoate24398-88-752 % similar

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

Same formula

4-Bromoindole-2-carboxylic acid ethyl ester103858-52-2 N-(3-Bromopropyl)phthalimide5460-29-7

Elsewhere

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