potassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate

C6H2BCl4KO2 — CID 102469584

IUPACpotassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate
SMILES[K+].[O-]B(O)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H2BCl4O2.K/c8-2-1-3(9)5(10)6(11)4(2)7(12)13;/h1,12H;/q-1;+1
InChIKeyWBUPKDGGGHWMAU-UHFFFAOYSA-N
MW297.80 g/mol
LogP-1.65
Rot. Bonds1

About potassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate

potassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate (PubChem CID 102469584) has the molecular formula C6H2BCl4KO2 and a molecular weight of 297.80 g/mol. Its IUPAC name is potassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate.

Molecular Properties

Compound Namepotassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate
PubChem CID102469584
Molecular FormulaC6H2BCl4KO2
Molecular Weight297.80 g/mol
Exact Mass295.85
IUPAC Namepotassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate
SMILES[K+].[O-]B(O)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H2BCl4O2.K/c8-2-1-3(9)5(10)6(11)4(2)7(12)13;/h1,12H;/q-1;+1
InChIKeyWBUPKDGGGHWMAU-UHFFFAOYSA-N
XLogP-1.65
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

potassium hydroxy-(2,3,5,6-tetrachlorophenyl)borinate
CID 102469583
1,2,3,4,5-pentachlorobenzene;sulfane
CID 20531825
2,3,4,6-tetrachlorophenol
CID 6028
formic acid;1,2,3,4,5-pentachlorobenzene
CID 159674578
sodium 2,3,4,5-tetrachlorophenolate
CID 23677949
2,3,4,5,6-pentachlorophenol;2,3,4,6-tetrachlorophenol
CID 158166722
(2,3,4,6-tetrachlorophenyl)hydrazine;hydrochloride
CID 138619876
(2,6-dichloro-4-methylphenyl)boronic acid
CID 57497248
1,2,3,4,5-pentachlorobenzene;phenol
CID 159935544
tris(2,3,6-trichloro-4-methylphenyl)borane
CID 87743041
oxalic acid;(2,3,4,6-tetrachlorophenyl)hydrazine
CID 138619577
sodium 3,4,6-trichloro-2-[(2,3,5-trichloro-6-oxidophenyl)methyl]phenolate
CID 139595602

Frequently Asked Questions

What is the IUPAC name of potassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate?
The IUPAC name of potassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate (CID 102469584) is potassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate.
What is the SMILES notation for potassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate?
The canonical SMILES for potassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate is [K+].[O-]B(O)c1c(Cl)cc(Cl)c(Cl)c1Cl.
What is the InChIKey of potassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate?
The InChIKey is WBUPKDGGGHWMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BCl4O2.K/c8-2-1-3(9)5(10)6(11)4(2)7(12)13;/h1,12H;/q-1;+1.
What are the key properties of potassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate?
potassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate has a molecular weight of 297.80 g/mol, XLogP of -1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium hydroxy-(2,3,4,6-tetrachlorophenyl)borinate is sourced from PubChem (CID 102469584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).