9,9'-Spirobi(9H-fluorene)-2-boronic Acid

C25H17BO2CAS 236389-21-2360.22 g/mol

Open in Covalent MOL file
BOHHO
Boronic acid

Properties

Molecular formula
C25H17BO2
Molar mass
360.22 g/mol
Exact mass
360.1322 Da
logP
3.71Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
236389-21-2
SMILES
B(C1=CC2=C(C=C1)C3=CC=CC=C3C24C5=CC=CC=C5C6=CC=CC=C46)(O)O
InChIKey
WDDLHUWVLROJLA-UHFFFAOYSA-N
InChI
InChI=1S/C25H17BO2/c27-26(28)16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-15,27-28H

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Names and synonyms

1 names
  • Boronic acid, B-9,9'-spirobi[9H-fluoren]-2'-yl-

Work with 9,9'-Spirobi(9H-fluorene)-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

B-(9,9-Diphenyl-9H-fluoren-2-yl)boronic acid400607-31-081 % similar 9,9-Dimethyl-9H-fluoren-2-yl-boronic acid333432-28-368 % similar (9,9-Dimethyl-9H-fluoren-2,7-diyl)diboronic acid866100-14-358 % similar 9,9-Spirodifluorene-2-boronic acid pinacol ester884336-44-155 % similar 9,9-Dihexyl-9H-fluoren-2-boronic acid371193-08-753 % similar 9,9'-Spirobi(9H-fluorene)159-66-052 % similar 9,9'-Spirobi[fluoren]-2-amine118951-68-150 % similar 2-Bromo-9,9′-spirobi[9H-fluorene]171408-76-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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