9,9-Dimethylfluorene-2,7-diboronic acid bis(pinacol) ester

C₂₇H₃₆B₂O₄CAS 325129-69-9446.20 g/mol

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Properties

Molecular formula: C₂₇H₃₆B₂O₄
Molar mass: 446.20 g/mol
Exact mass: 446.2800 Da
logP: 4.59Crippen estimate
Polar surface area: 36.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

325129-69-9

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C3(C)C)C=C(C=C4)B5OC(C(O5)(C)C)(C)C

InChIKey

RVFLMSKITNJVRB-UHFFFAOYSA-N

InChI

InChI=1S/C27H36B2O4/c1-23(2)21-15-17(28-30-24(3,4)25(5,6)31-28)11-13-19(21)20-14-12-18(16-22(20)23)29-32-26(7,8)27(9,10)33-29/h11-16H,1-10H3

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Names and synonyms

1 names

1,3,2-Dioxaborolane, 2,2'-(9,9-dimethyl-9H-fluorene-2,7-diyl)bis[4,4,5,5-tetramethyl]

Work with 9,9-Dimethylfluorene-2,7-diboronic acid bis(pinacol) ester

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-Dimethyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane569343-09-585 % similar 9,9-Diphenylfluorene-2-boronic acid pinacol ester462128-39-860 % similar 2-(9,9'-Spirobi[fluoren]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1346007-05-358 % similar (2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluorene)196207-58-657 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-856 % similar 2-(3,4-Dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane401797-00-054 % similar 4,4,5,5-Tetramethyl-2-(spiro[fluorene-9,9'-xanthen]-2'-yl)-1,3,2-dioxaborolane2106888-79-153 % similar 1,3,5-Phenyltriboronic acid, pinacol ester365564-05-253 % similar

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

Elsewhere

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