5-Chloroindole-2-carboxylic acid

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Systematic / IUPAC Name: 5-Chloro-1H-indole-2-carboxylic acid

ID: Reference1750

Other Names: 5-Chloroindole-2-carboxylate;
1H-Indole-2-carboxylic acid, 5-chloro-

Formula: C9H6ClNO2

Spectral Data

5-Chloroindole-2-carboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 73
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/1/2014 4:50:51 PM
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Identificators

InChI InChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
InChI Key FUQOTYRCMBZFOL-UHFFFAOYSA-N
Canonical SMILES C1=CC2=C(C=C1Cl)C=C(N2)C(=O)O
CAS 10517212
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Other Names 5-Chloroindole-2-carboxylate;
1H-Indole-2-carboxylic acid, 5-chloro-

In Other Databases

PubChem 82693
ChEMBL CHEMBL23906
ChemIDPlus 010517212
ChemSpider 74624