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

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled100% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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

6-Chloroindole-2-carboxylic acid ethyl ester27034-51-168 % similar Ethyl 6-fluoro-1H-indole-2-carboxylate348-37-868 % similar Ethyl 1H-indole-2-carboxylate3770-50-167 % similar Ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate24334-19-861 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-161 % similar Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-359 % similar Ethyl 6-bromo-1H-pyrrolo[2,3-B]pyridine-2-carboxylate577711-94-558 % similar Ethyl 5-fluoroindole-2-carboxylate348-36-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromoindole-2-carboxylic acid ethyl ester103858-52-2 2-(Ethoxycarbonyl)-5-bromo-indole16732-70-0 N-(3-Bromopropyl)phthalimide5460-29-7 Ethyl 3-bromoindole-2-carboxylate91348-45-7

Elsewhere

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