Methyl 5-bromo-1H-indazole-6-carboxylate

C₉H₇BrN₂O₂CAS 1000342-30-2255.07 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₉H₇BrN₂O₂
Molar mass: 255.07 g/mol
Exact mass: 253.9691 Da
logP: 2.11Crippen estimate
Polar surface area: 55.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

1000342-30-2

SMILES

COC(=O)c1cc2n[nH]cc2cc1Br

InChIKey

OMGXGABLIDYSNN-UHFFFAOYSA-N

InChI

InChI=1S/C9H7BrN2O2/c1-14-9(13)6-3-8-5(2-7(6)10)4-11-12-8/h2-4H,1H3,(H,11,12)

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Names and synonyms

1 names

1H-Indazole-6-carboxylic acid, 5-bromo-, methyl ester

Work with Methyl 5-bromo-1H-indazole-6-carboxylate

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

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

Elsewhere

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