7-Chloro-1H-indole-2-carboxylic acid

C₉H₆ClNO₂CAS 28899-75-4195.60 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₉H₆ClNO₂
Molar mass: 195.60 g/mol
Exact mass: 195.0087 Da
logP: 2.52Crippen estimate
Polar surface area: 53.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Identifiers

CAS number

28899-75-4

SMILES

O=C(O)c1cc2cccc(Cl)c2[nH]1

InChIKey

NVKAHBFPKVINGE-UHFFFAOYSA-N

InChI

InChI=1S/C9H6ClNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11H,(H,12,13)

Weigh it out

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

Names and synonyms

3 names

1H-Indole-2-carboxylic acid, 7-chloro-
Indole-2-carboxylic acid, 7-chloro-
7-Chloro-2-indolecarboxylic acid

Work with 7-Chloro-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-Methyl-1H-indole-2-carboxylic acid18474-60-768 % similar 7-Nitro-1H-indole-2-carboxylic acid6960-45-860 % similar Indole-2-carboxylic acid1477-50-558 % similar 2,6-Dichlorobenzoic acid50-30-650 % similar 5-Chloro-1H-pyrrolo[2,3-C]pyridine-2-carboxylic acid800401-68-750 % similar 4,6-Dichloro-1H-indole-2-carboxylic acid101861-63-648 % similar Indole-2,5-dicarboxylic acid117140-77-948 % similar 3-Chlorosalicylic acid1829-32-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Chloroindole-3-carboxylic acid10406-05-0 5-Chloro-1H-indole-2-carboxylic acid10517-21-2 5-Chloro-7-methylisatin14389-06-1 6-Chloro-1H-indole-2-carboxylic acid16732-75-5 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-6

Elsewhere

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