1,4-Benzenediboronic acid

C₆H₈B₂O₄CAS 4612-26-4165.75 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈B₂O₄
Molar mass: 165.75 g/mol
Exact mass: 166.0609 Da
logP: -2.95Crippen estimate
Polar surface area: 80.9 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 2

Identifiers

CAS number

4612-26-4

SMILES

B(C1=CC=C(C=C1)B(O)O)(O)O

InChIKey

BODYVHJTUHHINQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H8B2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,9-12H

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

Names and synonyms

1 names

1,4-Phenylenebisboronic acid

Work with 1,4-Benzenediboronic 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

4,4'-Biphenyldiboronic acid4151-80-880 % similar (4-Hydroxyphenyl)boronic acid71597-85-871 % similar Phenylboronic acid98-80-669 % similar (4-Chlorophenyl)boronic acid1679-18-167 % similar (4-Fluorophenyl)boronic acid1765-93-167 % similar 4-Mercaptophenylboronic acid237429-33-367 % similar 4-Iodophenylboronic acid5122-99-667 % similar (4-Bromophenyl)boronic acid5467-74-367 % similar

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

Same formula

1,3-Benzenediboronic acid4612-28-6

Elsewhere

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