7-Chloro-1H-indazole-3-carboxylic acid

C₈H₅ClN₂O₂CAS 129295-32-5196.59 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₅ClN₂O₂
Molar mass: 196.59 g/mol
Exact mass: 196.0040 Da
logP: 1.91Crippen estimate
Polar surface area: 66.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

129295-32-5

SMILES

C1=CC2=C(NN=C2C(=C1)Cl)C(=O)O

InChIKey

HVKKAELOIRDAAI-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClN2O2/c9-5-3-1-2-4-6(5)10-11-7(4)8(12)13/h1-3H,(H,10,11)(H,12,13)

Weigh it out

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

Work with 7-Chloro-1H-indazole-3-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

1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)116855-08-454 % similar 2,6-Dichlorobenzoic acid50-30-647 % similar 4-Chloronaphthalene-1-carboxylic acid1013-04-344 % similar Indazole-3-carboxylic acid4498-67-343 % similar 2,3-Dichlorobenzoic acid50-45-343 % similar 5-Phenyl-1H-pyrazole-3-carboxylic acid1134-49-242 % similar 3-Chlorosalicylic acid1829-32-941 % similar 2-Chloro-6-hydroxybenzoic acid56961-31-041 % similar

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

Same formula

5-Chloro-1H-pyrrolo[2,3-C]pyridine-2-carboxylic acid800401-68-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook