2,6-dichlorobenzenediazonium hexatetrafluoroborate

C6H3B6Cl2F24N2-5 — CID 173331966

IUPAC2,6-dichlorobenzenediazonium hexatetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]c1c(Cl)cccc1Cl
InChIInChI=1S/C6H3Cl2N2.6BF4/c7-4-2-1-3-5(8)6(4)10-9;6*2-1(3,4)5/h1-3H;;;;;;/q+1;6*-1
InChIKeyJEBUQMSEOVRLOH-UHFFFAOYSA-N
MW694.83 g/mol
LogP11.28
Rot. Bonds

About 2,6-dichlorobenzenediazonium hexatetrafluoroborate

2,6-dichlorobenzenediazonium hexatetrafluoroborate (PubChem CID 173331966) has the molecular formula C6H3B6Cl2F24N2-5 and a molecular weight of 694.83 g/mol. Its IUPAC name is 2,6-dichlorobenzenediazonium hexatetrafluoroborate.

Molecular Properties

Compound Name2,6-dichlorobenzenediazonium hexatetrafluoroborate
PubChem CID173331966
Molecular FormulaC6H3B6Cl2F24N2-5
Molecular Weight694.83 g/mol
Exact Mass694.99
IUPAC Name2,6-dichlorobenzenediazonium hexatetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]c1c(Cl)cccc1Cl
InChIInChI=1S/C6H3Cl2N2.6BF4/c7-4-2-1-3-5(8)6(4)10-9;6*2-1(3,4)5/h1-3H;;;;;;/q+1;6*-1
InChIKeyJEBUQMSEOVRLOH-UHFFFAOYSA-N
XLogP11.28
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.83
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorobenzenediazonium hexatetrafluoroborate?
The IUPAC name of 2,6-dichlorobenzenediazonium hexatetrafluoroborate (CID 173331966) is 2,6-dichlorobenzenediazonium hexatetrafluoroborate.
What is the SMILES notation for 2,6-dichlorobenzenediazonium hexatetrafluoroborate?
The canonical SMILES for 2,6-dichlorobenzenediazonium hexatetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichlorobenzenediazonium hexatetrafluoroborate?
The InChIKey is JEBUQMSEOVRLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N2.6BF4/c7-4-2-1-3-5(8)6(4)10-9;6*2-1(3,4)5/h1-3H;;;;;;/q+1;6*-1.
What are the key properties of 2,6-dichlorobenzenediazonium hexatetrafluoroborate?
2,6-dichlorobenzenediazonium hexatetrafluoroborate has a molecular weight of 694.83 g/mol, XLogP of 11.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorobenzenediazonium hexatetrafluoroborate is sourced from PubChem (CID 173331966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).