2,3-dimethoxybenzenediazonium tetratetrafluoroborate

C8H9B4F16N2O2-3 — CID 173431119

IUPAC2,3-dimethoxybenzenediazonium tetratetrafluoroborate
SMILESCOc1cccc([N+]#N)c1OC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C8H9N2O2.4BF4/c1-11-7-5-3-4-6(10-9)8(7)12-2;4*2-1(3,4)5/h3-5H,1-2H3;;;;/q+1;4*-1
InChIKeyFBSATLOJGOMIGZ-UHFFFAOYSA-N
MW512.39 g/mol
LogP7.39
Rot. Bonds2

About 2,3-dimethoxybenzenediazonium tetratetrafluoroborate

2,3-dimethoxybenzenediazonium tetratetrafluoroborate (PubChem CID 173431119) has the molecular formula C8H9B4F16N2O2-3 and a molecular weight of 512.39 g/mol. Its IUPAC name is 2,3-dimethoxybenzenediazonium tetratetrafluoroborate.

Molecular Properties

Compound Name2,3-dimethoxybenzenediazonium tetratetrafluoroborate
PubChem CID173431119
Molecular FormulaC8H9B4F16N2O2-3
Molecular Weight512.39 g/mol
Exact Mass513.08
IUPAC Name2,3-dimethoxybenzenediazonium tetratetrafluoroborate
SMILESCOc1cccc([N+]#N)c1OC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C8H9N2O2.4BF4/c1-11-7-5-3-4-6(10-9)8(7)12-2;4*2-1(3,4)5/h3-5H,1-2H3;;;;/q+1;4*-1
InChIKeyFBSATLOJGOMIGZ-UHFFFAOYSA-N
XLogP7.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.39
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate
CID 174894869
2-methoxybenzenediazonium chloride
CID 10920957
2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate
CID 10358241
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
tetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium)
CID 173427492
2-diazonio-6-methoxybenzoate
CID 134897591
2-fluoro-6-methoxybenzenediazonium
CID 168860936
3-(3-carboxyphenyl)-2-methoxybenzenediazonium
CID 170689275
CID 66772828
CID 66772828
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
2,3-dimethoxybenzamide;hydrate
CID 141005510
2-(4-methoxyphenoxy)benzenediazonium
CID 10358242

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxybenzenediazonium tetratetrafluoroborate?
The IUPAC name of 2,3-dimethoxybenzenediazonium tetratetrafluoroborate (CID 173431119) is 2,3-dimethoxybenzenediazonium tetratetrafluoroborate.
What is the SMILES notation for 2,3-dimethoxybenzenediazonium tetratetrafluoroborate?
The canonical SMILES for 2,3-dimethoxybenzenediazonium tetratetrafluoroborate is COc1cccc([N+]#N)c1OC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of 2,3-dimethoxybenzenediazonium tetratetrafluoroborate?
The InChIKey is FBSATLOJGOMIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2O2.4BF4/c1-11-7-5-3-4-6(10-9)8(7)12-2;4*2-1(3,4)5/h3-5H,1-2H3;;;;/q+1;4*-1.
What are the key properties of 2,3-dimethoxybenzenediazonium tetratetrafluoroborate?
2,3-dimethoxybenzenediazonium tetratetrafluoroborate has a molecular weight of 512.39 g/mol, XLogP of 7.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxybenzenediazonium tetratetrafluoroborate is sourced from PubChem (CID 173431119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).