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

C₉H₅Cl₂NO₂CAS 4792-71-6230.04 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic 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 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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

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

PubChem CAS Common Chemistry NIST WebBook