9,9-Dimethyl-9H-fluoren-2-yl-boronic acid

C₁₅H₁₅BO₂CAS 333432-28-3238.09 g/mol

Open in Covalent MOL file

Boronic acid

Properties

Molecular formula: C₁₅H₁₅BO₂
Molar mass: 238.09 g/mol
Exact mass: 238.1165 Da
logP: 1.67Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation60% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

333432-28-3

SMILES

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

InChIKey

DMDPAJOXRYGXCB-UHFFFAOYSA-N

InChI

InChI=1S/C15H15BO2/c1-15(2)13-6-4-3-5-11(13)12-8-7-10(16(17)18)9-14(12)15/h3-9,17-18H,1-2H3

Weigh it out

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

Names and synonyms

1 names

(9,9-Dimethyl-9H-fluoren-2-yl)boronic acid

Work with 9,9-Dimethyl-9H-fluoren-2-yl-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

(9,9-Dimethyl-9H-fluoren-2,7-diyl)diboronic acid866100-14-383 % similar 9,9'-Spirobi(9H-fluorene)-2-boronic Acid236389-21-268 % similar (7-Bromo-9,9-dimethyl-9H-fluoren-2-yl)boronic Acid (contains varying amounts of Anhydride)1213768-48-968 % similar 2-(9,9-Dimethyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane569343-09-562 % similar B-(9,9-Diphenyl-9H-fluoren-2-yl)boronic acid400607-31-061 % similar 9,9-Dimethyl-9H-fluorene4569-45-357 % similar (2-Methoxy-9,9-dimethyl-9H-fluoren-3-yl)boronic acid2177237-24-856 % similar 9,9-Dimethyl-9H-fluoren-2-amine108714-73-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook