6-Chloroindole-2-carboxylic acid ethyl ester

C11H10ClNO2CAS 27034-51-1223.66 g/mol

Open in Covalent MOL file
OONHCl
Aryl halideEster

Properties

Molecular formula
C11H10ClNO2
Molar mass
223.66 g/mol
Exact mass
223.0400 Da
logP
3.00Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
27034-51-1
SMILES
CCOC(=O)C1=CC2=C(N1)C=C(C=C2)Cl
InChIKey
FSMZLIBWSAMADK-UHFFFAOYSA-N
InChI
InChI=1S/C11H10ClNO2/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

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Names and synonyms

1 names
  • Ethyl 6-chloroindole-2-carboxylate

Work with 6-Chloroindole-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 6-bromoindole-2-carboxylate103858-53-368 % similar Ethyl 6-fluoro-1H-indole-2-carboxylate348-37-868 % similar Ethyl 1H-indole-2-carboxylate3770-50-167 % similar Ethyl 4,6-dichloro-1H-indole-2-carboxylate53995-82-764 % similar Ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate24334-19-861 % similar Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-359 % similar 2-(Ethoxycarbonyl)-5-bromo-indole16732-70-057 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-6,7-dimethoxyquinoline35654-56-9 Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-0

Elsewhere

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