1-Boc-6-chloroindole-2-boronic acid

C₁₃H₁₅BClNO₄CAS 352359-22-9295.53 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₁₃H₁₅BClNO₄
Molar mass: 295.53 g/mol
Exact mass: 295.0783 Da
logP: 1.76Crippen estimate
Polar surface area: 71.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

352359-22-9

SMILES

B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)Cl)(O)O

InChIKey

AHUWHEZTYPWOCY-UHFFFAOYSA-N

InChI

InChI=1S/C13H15BClNO4/c1-13(2,3)20-12(17)16-10-7-9(15)5-4-8(10)6-11(16)14(18)19/h4-7,18-19H,1-3H3

Weigh it out

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

Names and synonyms

1 names

1-(tert-Butoxycarbonyl)-6-chloro-1H-indol-2-ylboronic acid

Work with 1-Boc-6-chloroindole-2-boronic 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

1-(tert-Butoxycarbonyl)indole-2-boronic Acid (contains varying amounts of Anhydride)213318-44-671 % similar 1-(1,1-Dimethylethyl) 2-borono-5-fluoro-1H-indole-1-carboxylate352359-23-062 % similar 1-(tert-Butoxycarbonyl)-5-methoxy-1H-indol-2-ylboronic acid290331-71-461 % similar 1-(1,1-Dimethylethyl) 2-borono-5-cyano-1H-indole-1-carboxylate475102-15-959 % similar N-Boc-2-pyrroleboronic acid135884-31-048 % similar 1-(1,1-Dimethylethyl) 3-boronobenzoate220210-56-043 % similar N-Boc-5-hydroxyindole434958-85-740 % similar 1,1-Dimethylethyl 5-amino-1H-indole-1-carboxylate166104-20-738 % similar

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

Elsewhere

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