potassium;boric acid;chlorobenzene

C6H16B4ClKO12 — CID 173394913

IUPACpotassium;boric acid;chlorobenzene
SMILESClc1cc[c-]cc1.OB(O)O.OB(O)O.OB(O)O.OB(O)O.[K+]
InChIInChI=1S/C6H4Cl.4BH3O3.K/c7-6-4-2-1-3-5-6;4*2-1(3)4;/h2-5H;4*2-4H;/q-1;;;;;+1
InChIKeyWELAUUMGSQXTKI-UHFFFAOYSA-N
MW397.98 g/mol
LogP-9.06
Rot. Bonds

About potassium;boric acid;chlorobenzene

potassium;boric acid;chlorobenzene (PubChem CID 173394913) has the molecular formula C6H16B4ClKO12 and a molecular weight of 397.98 g/mol. Its IUPAC name is potassium;boric acid;chlorobenzene.

Molecular Properties

Compound Namepotassium;boric acid;chlorobenzene
PubChem CID173394913
Molecular FormulaC6H16B4ClKO12
Molecular Weight397.98 g/mol
Exact Mass398.03
IUPAC Namepotassium;boric acid;chlorobenzene
SMILESClc1cc[c-]cc1.OB(O)O.OB(O)O.OB(O)O.OB(O)O.[K+]
InChIInChI=1S/C6H4Cl.4BH3O3.K/c7-6-4-2-1-3-5-6;4*2-1(3)4;/h2-5H;4*2-4H;/q-1;;;;;+1
InChIKeyWELAUUMGSQXTKI-UHFFFAOYSA-N
XLogP-9.06
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500397.98
LogP ≤ 5-9.06
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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CID 4172048
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CID 174791670
boric acid;tetrakis(4-chlorophenyl)azanium
CID 174966384
(4-chlorobenzoyl)boronic acid
CID 150351176
gold;phenol
CID 174951806
lithium 4-chlorophenolate
CID 23661843
CID 134900025
CID 134900025
azane;1,4-dichlorobenzene
CID 69330361
(4-chlorophenyl)methylboronic acid
CID 63703028
methanol;methylbenzene;titanium
CID 141397968

Frequently Asked Questions

What is the IUPAC name of potassium;boric acid;chlorobenzene?
The IUPAC name of potassium;boric acid;chlorobenzene (CID 173394913) is potassium;boric acid;chlorobenzene.
What is the SMILES notation for potassium;boric acid;chlorobenzene?
The canonical SMILES for potassium;boric acid;chlorobenzene is Clc1cc[c-]cc1.OB(O)O.OB(O)O.OB(O)O.OB(O)O.[K+].
What is the InChIKey of potassium;boric acid;chlorobenzene?
The InChIKey is WELAUUMGSQXTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl.4BH3O3.K/c7-6-4-2-1-3-5-6;4*2-1(3)4;/h2-5H;4*2-4H;/q-1;;;;;+1.
What are the key properties of potassium;boric acid;chlorobenzene?
potassium;boric acid;chlorobenzene has a molecular weight of 397.98 g/mol, XLogP of -9.06, 0 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;boric acid;chlorobenzene is sourced from PubChem (CID 173394913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).