boric acid;dihydrochloride

H5BCl2O3 — CID 159252870

IUPACboric acid;dihydrochloride
SMILESCl.Cl.OB(O)O
InChIInChI=1S/BH3O3.2ClH/c2-1(3)4;;/h2-4H;2*1H
InChIKeyKVNHJNLTAHMJGH-UHFFFAOYSA-N
MW134.75 g/mol
LogP-1.21
Rot. Bonds

About boric acid;dihydrochloride

boric acid;dihydrochloride (PubChem CID 159252870) has the molecular formula H5BCl2O3 and a molecular weight of 134.75 g/mol. Its IUPAC name is boric acid;dihydrochloride.

Molecular Properties

Compound Nameboric acid;dihydrochloride
PubChem CID159252870
Molecular FormulaH5BCl2O3
Molecular Weight134.75 g/mol
Exact Mass133.97
IUPAC Nameboric acid;dihydrochloride
SMILESCl.Cl.OB(O)O
InChIInChI=1S/BH3O3.2ClH/c2-1(3)4;;/h2-4H;2*1H
InChIKeyKVNHJNLTAHMJGH-UHFFFAOYSA-N
XLogP-1.21
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.75
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 173113715
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Frequently Asked Questions

What is the IUPAC name of boric acid;dihydrochloride?
The IUPAC name of boric acid;dihydrochloride (CID 159252870) is boric acid;dihydrochloride.
What is the SMILES notation for boric acid;dihydrochloride?
The canonical SMILES for boric acid;dihydrochloride is Cl.Cl.OB(O)O.
What is the InChIKey of boric acid;dihydrochloride?
The InChIKey is KVNHJNLTAHMJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3.2ClH/c2-1(3)4;;/h2-4H;2*1H.
What are the key properties of boric acid;dihydrochloride?
boric acid;dihydrochloride has a molecular weight of 134.75 g/mol, XLogP of -1.21, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;dihydrochloride is sourced from PubChem (CID 159252870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).