4-Bromoindole-2-carboxylic acid ethyl ester

C₁₁H₁₀BrNO₂CAS 103858-52-2268.11 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

103858-52-2

SMILES

CCOC(=O)C1=CC2=C(N1)C=CC=C2Br

InChIKey

KNPDUPLMXYEJAU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Ethyl 4-bromo-1H-indole-2-carboxylate

Work with 4-Bromoindole-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 5-chloro-1H-indole-2-carboxylate4792-67-055 % similar Ethyl 2-bromobenzoate6091-64-152 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-152 % similar Ethyl 5-fluoroindole-2-carboxylate348-36-752 % similar Ethyl 6-fluoro-1H-indole-2-carboxylate348-37-852 % similar Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-951 % similar Ethyl 3-bromobenzoate24398-88-750 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-349 % similar

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

Same formula

Ethyl 6-bromoindole-2-carboxylate103858-53-3 N-(3-Bromopropyl)phthalimide5460-29-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook