9,9-Dihexyl-9H-fluoren-2-boronic acid

C₂₅H₃₅BO₂CAS 371193-08-7378.36 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₅H₃₅BO₂
Molar mass: 378.36 g/mol
Exact mass: 378.2730 Da
logP: 5.57Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 11

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

371193-08-7

SMILES

B(C1=CC2=C(C=C1)C3=CC=CC=C3C2(CCCCCC)CCCCCC)(O)O

InChIKey

WWASBXIXSWJVJW-UHFFFAOYSA-N

InChI

InChI=1S/C25H35BO2/c1-3-5-7-11-17-25(18-12-8-6-4-2)23-14-10-9-13-21(23)22-16-15-20(26(27)28)19-24(22)25/h9-10,13-16,19,27-28H,3-8,11-12,17-18H2,1-2H3

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Names and synonyms

1 names

9,9-Dihexylfluorene-2-boronic Acid (contains varying amounts of Anhydride)

Work with 9,9-Dihexyl-9H-fluoren-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

2-(9,9-Dioctyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane302554-81-067 % similar 2-Bromo-9,9-dihexyl fluorene226070-05-963 % similar 2-Bromo-9,9-di-n-octylfluorene302554-80-963 % similar (2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluorene)196207-58-657 % similar 9,9'-Spirobi(9H-fluorene)-2-boronic Acid236389-21-253 % similar 9,9-Dimethyl-9H-fluoren-2-yl-boronic acid333432-28-353 % similar 2,7-Dibromo-9,9-didecylfluorene175922-78-852 % similar 9,9-Dihexyl-2,7-dibromofluorene189367-54-252 % similar

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

Elsewhere

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