diphenylboronic anhydride   Click here for help

GtoPdb Ligand ID: 2494

Synonyms: diphenylborinic anhydride
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 9.23
Molecular weight 346.17
XLogP 8.01
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O(B(c1ccccc1)c1ccccc1)B(c1ccccc1)c1ccccc1
Isomeric SMILES O(B(c1ccccc1)c1ccccc1)B(c1ccccc1)c1ccccc1
InChI InChI=1S/C24H20B2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChI Key SNQFEECGHGUHBK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
di(phenyl)boranyloxy-di(phenyl)borane
Synonyms Click here for help
diphenylborinic anhydride
Database Links Click here for help
CAS Registry No. 4426-21-5 (source: Scifinder)
ChEMBL Ligand CHEMBL2386188
GtoPdb PubChem SID 53801083
PubChem CID 596810
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