dibromoborinic acid

HBBr2O — CID 151621452

IUPACdibromoborinic acid
SMILESOB(Br)Br
InChIInChI=1S/BBr2HO/c2-1(3)4/h4H
InChIKeySILBTQDWXUTOLE-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.75
Rot. Bonds

About dibromoborinic acid

dibromoborinic acid (PubChem CID 151621452) has the molecular formula HBBr2O and a molecular weight of 187.63 g/mol. Its IUPAC name is dibromoborinic acid.

Molecular Properties

Compound Namedibromoborinic acid
PubChem CID151621452
Molecular FormulaHBBr2O
Molecular Weight187.63 g/mol
Exact Mass185.85
IUPAC Namedibromoborinic acid
SMILESOB(Br)Br
InChIInChI=1S/BBr2HO/c2-1(3)4/h4H
InChIKeySILBTQDWXUTOLE-UHFFFAOYSA-N
XLogP0.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibromoborinic acid?
The IUPAC name of dibromoborinic acid (CID 151621452) is dibromoborinic acid.
What is the SMILES notation for dibromoborinic acid?
The canonical SMILES for dibromoborinic acid is OB(Br)Br.
What is the InChIKey of dibromoborinic acid?
The InChIKey is SILBTQDWXUTOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/BBr2HO/c2-1(3)4/h4H.
What are the key properties of dibromoborinic acid?
dibromoborinic acid has a molecular weight of 187.63 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibromoborinic acid is sourced from PubChem (CID 151621452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).