(9,9-Dimethyl-9H-fluoren-2,7-diyl)diboronic acid

C₁₅H₁₆B₂O₄CAS 866100-14-3281.91 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₆B₂O₄
Molar mass: 281.91 g/mol
Exact mass: 282.1235 Da
logP: -0.65Crippen estimate
Polar surface area: 80.9 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

866100-14-3

SMILES

B(C1=CC2=C(C=C1)C3=C(C2(C)C)C=C(C=C3)B(O)O)(O)O

InChIKey

LUVUGOUOAXADNE-UHFFFAOYSA-N

InChI

InChI=1S/C15H16B2O4/c1-15(2)13-7-9(16(18)19)3-5-11(13)12-6-4-10(17(20)21)8-14(12)15/h3-8,18-21H,1-2H3

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Names and synonyms

1 names

(9,9-Dimethyl-9H-fluorene-2,7-diyl)diboronic acid

Work with (9,9-Dimethyl-9H-fluoren-2,7-diyl)diboronic 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

9,9-Dimethyl-9H-fluoren-2-yl-boronic acid333432-28-383 % similar (7-Bromo-9,9-dimethyl-9H-fluoren-2-yl)boronic Acid (contains varying amounts of Anhydride)1213768-48-978 % similar 9,9'-Spirobi(9H-fluorene)-2-boronic Acid236389-21-258 % similar 9,9-Dimethylfluorene-2,7-diboronic acid bis(pinacol) ester325129-69-956 % similar B-(9,9-Diphenyl-9H-fluoren-2-yl)boronic acid400607-31-051 % similar 2-(9,9-Dimethyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane569343-09-549 % similar 2,7-Diiodo-9,9-dimethyl-9H-fluorene144981-86-247 % similar 2,7-Dibromo-9,9-dimethylfluorene28320-32-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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