chempirical

Tavaborole

C7H6BFO2CAS 174671-46-6151.93 g/mol

Open in Covalent MOL file
HOBOF
Aryl halide

Properties

Molecular formula
C7H6BFO2
Molar mass
151.93 g/mol
Exact mass
152.0445 Da
Melting point
118–120 °C
logP
0.04Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
174671-46-6
SMILES
OB1OCc2cc(F)ccc21
InChIKey
LFQDNHWZDQTITF-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2

Weigh it out

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

Names and synonyms

6 names
  • 2,1-Benzoxaborole, 5-fluoro-1,3-dihydro-1-hydroxy-
  • 5-Fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole
  • AN 2690
  • 5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol
  • AN 2729
  • Kerydin

Work with Tavaborole

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

Crisaborole906673-24-348 % similar 2,4-Difluorophenylboronic acid144025-03-642 % similar (4-Fluoro-2-methylphenyl)boronic acid139911-29-839 % similar 2,5-Difluorobenzenemethanol75853-20-238 % similar B-[4-Fluoro-2-(trifluoromethyl)phenyl]boronic acid182344-16-738 % similar 5-Fluoro-2-methoxyphenylboronic acid179897-94-037 % similar 3-Fluorophenylboronic acid768-35-436 % similar 5-Fluoro-2-methylphenylboronic acid163517-62-236 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook