Ethyl 4,6-dichloro-1H-indole-2-carboxylate

C11H9Cl2NO2CAS 53995-82-7258.10 g/mol

Open in Covalent MOL file
OONHClCl
Aryl halideEster

Properties

Molecular formula
C11H9Cl2NO2
Molar mass
258.10 g/mol
Exact mass
257.0010 Da
logP
3.65Crippen 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
53995-82-7
SMILES
CCOC(=O)C1=CC2=C(N1)C=C(C=C2Cl)Cl
InChIKey
YLAHLUPONQVSOT-UHFFFAOYSA-N
InChI
InChI=1S/C11H9Cl2NO2/c1-2-16-11(15)10-5-7-8(13)3-6(12)4-9(7)14-10/h3-5,14H,2H2,1H3

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Names and synonyms

1 names
  • Ethyl 4,6-dichloroindole-2-carboxylate

Work with Ethyl 4,6-dichloro-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

6-Chloroindole-2-carboxylic acid ethyl ester27034-51-164 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-061 % similar 4,6-Dichloro-1H-indole-2-carboxylic acid101861-63-657 % similar 4-Bromoindole-2-carboxylic acid ethyl ester103858-52-255 % similar Ethyl 2,4-dichlorobenzoate56882-52-153 % similar Ethyl 3,5-dichlorobenzoate91085-56-252 % similar Ethyl 1H-indole-2-carboxylate3770-50-152 % similar Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate187725-00-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Barban101-27-9

Elsewhere

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