Ethyl 5-chloro-1H-indole-2-carboxylate

C₁₁H₁₀ClNO₂CAS 4792-67-0223.66 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₁H₁₀ClNO₂
Molar mass: 223.66 g/mol
Exact mass: 223.0400 Da
Melting point: 167–168 °C
logP: 3.00Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

4792-67-0

SMILES

CCOC(=O)c1cc2cc(Cl)ccc2[nH]1

InChIKey

LWKIFKYHCJAIAB-UHFFFAOYSA-N

InChI

InChI=1S/C11H10ClNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(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

7 names

1H-Indole-2-carboxylic acid, 5-chloro-, ethyl ester
Indole-2-carboxylic acid, 5-chloro-, ethyl ester
Ethyl 5-chloroindole-2-carboxylate
5-Chloroindole-2-carboxylic acid ethyl ester
5-Chloro-2-ethoxycarbonylindole
5-Chloro-1H-indole-2-carboxylic acid ethyl ester
NSC 94209

Work with Ethyl 5-chloro-1H-indole-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 5-fluoroindole-2-carboxylate348-36-772 % similar Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-370 % similar 2-(Ethoxycarbonyl)-5-bromo-indole16732-70-068 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-168 % similar Ethyl 1H-indole-2-carboxylate3770-50-167 % similar Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-967 % similar Ethyl 5-nitroindole-2-carboxylate16732-57-361 % similar Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate175203-82-461 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloroindole-2-carboxylic acid ethyl ester27034-51-1 4-Chloro-6,7-dimethoxyquinoline35654-56-9

Elsewhere

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