4-phenylbenzenediazonium tetrafluoroborate

C12H9BF4N2 — CID 10923523

IUPAC4-phenylbenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9N2.BF4/c13-14-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2-1(3,4)5/h1-9H;/q+1;-1
InChIKeyUDVSIIUYGJJYHJ-UHFFFAOYSA-N
MW268.02 g/mol
LogP5.14
Rot. Bonds1

About 4-phenylbenzenediazonium tetrafluoroborate

4-phenylbenzenediazonium tetrafluoroborate (PubChem CID 10923523) has the molecular formula C12H9BF4N2 and a molecular weight of 268.02 g/mol. Its IUPAC name is 4-phenylbenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name4-phenylbenzenediazonium tetrafluoroborate
PubChem CID10923523
Molecular FormulaC12H9BF4N2
Molecular Weight268.02 g/mol
Exact Mass268.08
IUPAC Name4-phenylbenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9N2.BF4/c13-14-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2-1(3,4)5/h1-9H;/q+1;-1
InChIKeyUDVSIIUYGJJYHJ-UHFFFAOYSA-N
XLogP5.14
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.02
LogP ≤ 55.14
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 4-phenylbenzenediazonium tetrafluoroborate?
The IUPAC name of 4-phenylbenzenediazonium tetrafluoroborate (CID 10923523) is 4-phenylbenzenediazonium tetrafluoroborate.
What is the SMILES notation for 4-phenylbenzenediazonium tetrafluoroborate?
The canonical SMILES for 4-phenylbenzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenylbenzenediazonium tetrafluoroborate?
The InChIKey is UDVSIIUYGJJYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N2.BF4/c13-14-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2-1(3,4)5/h1-9H;/q+1;-1.
What are the key properties of 4-phenylbenzenediazonium tetrafluoroborate?
4-phenylbenzenediazonium tetrafluoroborate has a molecular weight of 268.02 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbenzenediazonium tetrafluoroborate is sourced from PubChem (CID 10923523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).