1-(1,1-Dimethylethyl) 2-borono-5-fluoro-1H-indole-1-carboxylate

C₁₃H₁₅BFNO₄CAS 352359-23-0279.07 g/mol

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Aryl halide Boronic acid

Properties

Molecular formula: C₁₃H₁₅BFNO₄
Molar mass: 279.07 g/mol
Exact mass: 279.1078 Da
logP: 1.24Crippen estimate
Polar surface area: 71.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

352359-23-0

SMILES

CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(F)ccc21

InChIKey

TZHYEXHDCFQZGG-UHFFFAOYSA-N

InChI

InChI=1S/C13H15BFNO4/c1-13(2,3)20-12(17)16-10-5-4-9(15)6-8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3

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Names and synonyms

4 names

1H-Indole-1-carboxylic acid, 2-borono-5-fluoro-, 1-(1,1-dimethylethyl) ester
[1-[[(1,1-Dimethylethyl)oxy]carbonyl]-5-fluoro-1H-indol-2-yl]boronic acid
[1-(tert-Butoxycarbonyl)-5-fluoro-1H-indol-2-yl]boronic acid
1-Boc-5-fluoroindole-2-boronic Acid

Work with 1-(1,1-Dimethylethyl) 2-borono-5-fluoro-1H-indole-1-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

Similar compounds

1-(1,1-Dimethylethyl) 2-borono-5-cyano-1H-indole-1-carboxylate475102-15-968 % similar 1-(1,1-Dimethylethyl) 3-boronobenzoate220210-56-040 % similar 1,1-Dimethylethyl 5-amino-1H-indole-1-carboxylate166104-20-738 % similar 1,1-Dimethylethyl 5-amino-1H-indazole-1-carboxylate129488-10-437 % similar 1-Methyl 2-borono-4-fluorobenzoate850568-05-735 % similar (4-((tert-Butoxycarbonyl)oxy)phenyl)boronicacid380430-70-634 % similar 5-Fluoro-2-methoxyphenylboronic acid179897-94-031 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-L-phenylalanine114873-01-731 % similar

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

Elsewhere

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