lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride

C7H8BClILiO6 — CID 175209513

IUPAClithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride
SMILESO=C(O)c1cccc(I)c1OCl.OB(O)O.[H-].[Li+]
InChIInChI=1S/C7H4ClIO3.BH3O3.Li.H/c8-12-6-4(7(10)11)2-1-3-5(6)9;2-1(3)4;;/h1-3H,(H,10,11);2-4H;;/q;;+1;-1
InChIKeyQSYKAEZYFLJBTM-UHFFFAOYSA-N
MW368.25 g/mol
LogP-2.41
Rot. Bonds2

About lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride

lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride (PubChem CID 175209513) has the molecular formula C7H8BClILiO6 and a molecular weight of 368.25 g/mol. Its IUPAC name is lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride.

Molecular Properties

Compound Namelithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride
PubChem CID175209513
Molecular FormulaC7H8BClILiO6
Molecular Weight368.25 g/mol
Exact Mass367.93
IUPAC Namelithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride
SMILESO=C(O)c1cccc(I)c1OCl.OB(O)O.[H-].[Li+]
InChIInChI=1S/C7H4ClIO3.BH3O3.Li.H/c8-12-6-4(7(10)11)2-1-3-5(6)9;2-1(3)4;;/h1-3H,(H,10,11);2-4H;;/q;;+1;-1
InChIKeyQSYKAEZYFLJBTM-UHFFFAOYSA-N
XLogP-2.41
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 5-2.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride?
The IUPAC name of lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride (CID 175209513) is lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride.
What is the SMILES notation for lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride?
The canonical SMILES for lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride is O=C(O)c1cccc(I)c1OCl.OB(O)O.[H-].[Li+].
What is the InChIKey of lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride?
The InChIKey is QSYKAEZYFLJBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIO3.BH3O3.Li.H/c8-12-6-4(7(10)11)2-1-3-5(6)9;2-1(3)4;;/h1-3H,(H,10,11);2-4H;;/q;;+1;-1.
What are the key properties of lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride?
lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride has a molecular weight of 368.25 g/mol, XLogP of -2.41, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride is sourced from PubChem (CID 175209513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).