1,3-benzotellurazol-3-ium tetrafluoroborate

C7H6BF4NTe — CID 88683711

IUPAC1,3-benzotellurazol-3-ium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc2[te]c[nH+]c2c1
InChIInChI=1S/C7H5NTe.BF4/c1-2-4-7-6(3-1)8-5-9-7;2-1(3,4)5/h1-5H;/q;-1/p+1
InChIKeyMMGWCCOMHCQXBE-UHFFFAOYSA-O
MW318.54 g/mol
LogP2.01
Rot. Bonds

About 1,3-benzotellurazol-3-ium tetrafluoroborate

1,3-benzotellurazol-3-ium tetrafluoroborate (PubChem CID 88683711) has the molecular formula C7H6BF4NTe and a molecular weight of 318.54 g/mol. Its IUPAC name is 1,3-benzotellurazol-3-ium tetrafluoroborate.

Molecular Properties

Compound Name1,3-benzotellurazol-3-ium tetrafluoroborate
PubChem CID88683711
Molecular FormulaC7H6BF4NTe
Molecular Weight318.54 g/mol
Exact Mass320.96
IUPAC Name1,3-benzotellurazol-3-ium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc2[te]c[nH+]c2c1
InChIInChI=1S/C7H5NTe.BF4/c1-2-4-7-6(3-1)8-5-9-7;2-1(3,4)5/h1-5H;/q;-1/p+1
InChIKeyMMGWCCOMHCQXBE-UHFFFAOYSA-O
XLogP2.01
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.54
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzotellurazol-3-ium tetrafluoroborate?
The IUPAC name of 1,3-benzotellurazol-3-ium tetrafluoroborate (CID 88683711) is 1,3-benzotellurazol-3-ium tetrafluoroborate.
What is the SMILES notation for 1,3-benzotellurazol-3-ium tetrafluoroborate?
The canonical SMILES for 1,3-benzotellurazol-3-ium tetrafluoroborate is F[B-](F)(F)F.c1ccc2[te]c[nH+]c2c1.
What is the InChIKey of 1,3-benzotellurazol-3-ium tetrafluoroborate?
The InChIKey is MMGWCCOMHCQXBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H5NTe.BF4/c1-2-4-7-6(3-1)8-5-9-7;2-1(3,4)5/h1-5H;/q;-1/p+1.
What are the key properties of 1,3-benzotellurazol-3-ium tetrafluoroborate?
1,3-benzotellurazol-3-ium tetrafluoroborate has a molecular weight of 318.54 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzotellurazol-3-ium tetrafluoroborate is sourced from PubChem (CID 88683711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).