5,7-Dichloro-1H-indole-2-carboxylic acid

C9H5Cl2NO2CAS 4792-71-6230.04 g/mol

Open in Covalent MOL file
NHClClOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H5Cl2NO2
Molar mass
230.04 g/mol
Exact mass
228.9697 Da
logP
3.17Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

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
4792-71-6
SMILES
C1=C2C=C(NC2=C(C=C1Cl)Cl)C(=O)O
InChIKey
QILAXMNESNFYJG-UHFFFAOYSA-N
InChI
InChI=1S/C9H5Cl2NO2/c10-5-1-4-2-7(9(13)14)12-8(4)6(11)3-5/h1-3,12H,(H,13,14)

Weigh it out

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Work with 5,7-Dichloro-1H-indole-2-carboxylic acid

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

7-Chloro-1H-indole-2-carboxylic acid28899-75-468 % similar 5-Chloro-1H-indole-2-carboxylic acid10517-21-257 % similar 2,4,6-Trichlorobenzoic acid50-43-157 % similar 5,7-Dichlorokynurenic acid131123-76-755 % similar 6-Chloro-1H-indole-2-carboxylic acid16732-75-554 % similar 2,3,5-Trichlorobenzoic acid50-73-751 % similar 7-Hydroxy-1H-indole-2-carboxylic acid84639-84-950 % similar 7-Methyl-1H-indole-2-carboxylic acid18474-60-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,6-Dichloro-1H-indole-2-carboxylic acid101861-63-6

Elsewhere

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