4-(hydroxymethyl)benzenediazonium tetrafluoroborate

C7H7BF4N2O — CID 21120209

IUPAC4-(hydroxymethyl)benzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc(CO)cc1
InChIInChI=1S/C7H7N2O.BF4/c8-9-7-3-1-6(5-10)2-4-7;2-1(3,4)5/h1-4,10H,5H2;/q+1;-1
InChIKeyNBHPHEKAJYHXLW-UHFFFAOYSA-N
MW221.95 g/mol
LogP2.96
Rot. Bonds1

About 4-(hydroxymethyl)benzenediazonium tetrafluoroborate

4-(hydroxymethyl)benzenediazonium tetrafluoroborate (PubChem CID 21120209) has the molecular formula C7H7BF4N2O and a molecular weight of 221.95 g/mol. Its IUPAC name is 4-(hydroxymethyl)benzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name4-(hydroxymethyl)benzenediazonium tetrafluoroborate
PubChem CID21120209
Molecular FormulaC7H7BF4N2O
Molecular Weight221.95 g/mol
Exact Mass222.06
IUPAC Name4-(hydroxymethyl)benzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc(CO)cc1
InChIInChI=1S/C7H7N2O.BF4/c8-9-7-3-1-6(5-10)2-4-7;2-1(3,4)5/h1-4,10H,5H2;/q+1;-1
InChIKeyNBHPHEKAJYHXLW-UHFFFAOYSA-N
XLogP2.96
TPSA48.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.95
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(hydroxymethyl)benzenediazonium tetrafluoroborate?
The IUPAC name of 4-(hydroxymethyl)benzenediazonium tetrafluoroborate (CID 21120209) is 4-(hydroxymethyl)benzenediazonium tetrafluoroborate.
What is the SMILES notation for 4-(hydroxymethyl)benzenediazonium tetrafluoroborate?
The canonical SMILES for 4-(hydroxymethyl)benzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)benzenediazonium tetrafluoroborate?
The InChIKey is NBHPHEKAJYHXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O.BF4/c8-9-7-3-1-6(5-10)2-4-7;2-1(3,4)5/h1-4,10H,5H2;/q+1;-1.
What are the key properties of 4-(hydroxymethyl)benzenediazonium tetrafluoroborate?
4-(hydroxymethyl)benzenediazonium tetrafluoroborate has a molecular weight of 221.95 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)benzenediazonium tetrafluoroborate is sourced from PubChem (CID 21120209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).