3,5-Dibromobenzeneboronic acid

C₆H₅BBr₂O₂CAS 117695-55-3279.72 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₅BBr₂O₂
Molar mass: 279.72 g/mol
Exact mass: 277.8749 Da
logP: 0.89Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

117695-55-3

SMILES

B(C1=CC(=CC(=C1)Br)Br)(O)O

InChIKey

WQBLCGDZYFKINX-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BBr2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H

Weigh it out

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

Work with 3,5-Dibromobenzeneboronic 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

(4-Bromophenyl)boronic acid5467-74-357 % similar (3,5-Difluorophenyl)boronic acid156545-07-244 % similar (3,5-Dimethylphenyl)boronic acid172975-69-844 % similar 3,5-Dibromophenol626-41-543 % similar B-(2,6-Dichloro-4-pyridinyl)boronic acid1072951-54-241 % similar (3,4,5-Trifluorophenyl)boronic acid143418-49-941 % similar (3,5-Diphenylphenyl)boronic acid128388-54-539 % similar (7-Bromo-9,9-dimethyl-9H-fluoren-2-yl)boronic Acid (contains varying amounts of Anhydride)1213768-48-939 % similar

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

Elsewhere

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