4-Bromoindole-2-carboxylic acid ethyl ester

C11H10BrNO2CAS 103858-52-2268.11 g/mol

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OONHBr
Aryl halideEster

Properties

Molecular formula
C11H10BrNO2
Molar mass
268.11 g/mol
Exact mass
266.9895 Da
logP
3.11Crippen estimate
Polar surface area
42.1 Ų
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.

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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

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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 1H-indole-2-carboxylate3770-50-164 % similar Ethyl 1H-pyrrolo(3,2-b)pyridine-2-carboxylate17288-32-359 % similar 6-Chloroindole-2-carboxylic acid ethyl ester27034-51-155 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-055 % similar Ethyl 4,6-dichloro-1H-indole-2-carboxylate53995-82-755 % similar Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-353 % similar Ethyl 2-bromobenzoate6091-64-152 % similar Ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate24334-19-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 6-bromoindole-2-carboxylate103858-53-3 2-(Ethoxycarbonyl)-5-bromo-indole16732-70-0 N-(3-Bromopropyl)phthalimide5460-29-7 Ethyl 3-bromoindole-2-carboxylate91348-45-7

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