(7-Bromo-9,9-dimethyl-9H-fluoren-2-yl)boronic Acid (contains varying amounts of Anhydride)

C₁₅H₁₄BBrO₂CAS 1213768-48-9316.99 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₁₅H₁₄BBrO₂
Molar mass: 316.99 g/mol
Exact mass: 316.0270 Da
logP: 2.44Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

1213768-48-9

SMILES

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

InChIKey

CYZUULREWZKGJP-UHFFFAOYSA-N

InChI

InChI=1S/C15H14BBrO2/c1-15(2)13-7-9(16(18)19)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8,18-19H,1-2H3

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Names and synonyms

1 names

7-Bromo-9,9-dimethylfluoren-2-yl-boronic acid

Work with (7-Bromo-9,9-dimethyl-9H-fluoren-2-yl)boronic Acid (contains varying amounts of Anhydride)

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

2,7-Dibromo-9,9-dimethylfluorene28320-32-369 % similar 2-Bromo-11,11-dimethyl-11H-benzo[B]fluorene1198396-39-261 % similar 1196107-73-91196107-73-950 % similar 9-Bromo-7,7-dimethyl-7H-benzo[C]fluorene1198396-46-149 % similar 3-Bromo-9,9-dimethylfluorene1190360-23-648 % similar (4-Bromophenyl)boronic acid5467-74-347 % similar 5,9-Dibromo-7,7-dimethyl-7H-benzo(c)fluorene1056884-35-547 % similar 2,2',7,7'-Tetrabromo-9,9'-spirobi[9H-fluorene]128055-74-346 % similar

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

Elsewhere

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