3-chloro-4-methylbenzenediazonium tetrafluoroborate

C7H6BClF4N2 — CID 82973633

IUPAC3-chloro-4-methylbenzenediazonium tetrafluoroborate
SMILESCc1ccc([N+]#N)cc1Cl.F[B-](F)(F)F
InChIInChI=1S/C7H6ClN2.BF4/c1-5-2-3-6(10-9)4-7(5)8;2-1(3,4)5/h2-4H,1H3;/q+1;-1
InChIKeyOWWNNGNZZJFGDX-UHFFFAOYSA-N
MW240.40 g/mol
LogP4.43
Rot. Bonds

About 3-chloro-4-methylbenzenediazonium tetrafluoroborate

3-chloro-4-methylbenzenediazonium tetrafluoroborate (PubChem CID 82973633) has the molecular formula C7H6BClF4N2 and a molecular weight of 240.40 g/mol. Its IUPAC name is 3-chloro-4-methylbenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name3-chloro-4-methylbenzenediazonium tetrafluoroborate
PubChem CID82973633
Molecular FormulaC7H6BClF4N2
Molecular Weight240.40 g/mol
Exact Mass240.02
IUPAC Name3-chloro-4-methylbenzenediazonium tetrafluoroborate
SMILESCc1ccc([N+]#N)cc1Cl.F[B-](F)(F)F
InChIInChI=1S/C7H6ClN2.BF4/c1-5-2-3-6(10-9)4-7(5)8;2-1(3,4)5/h2-4H,1H3;/q+1;-1
InChIKeyOWWNNGNZZJFGDX-UHFFFAOYSA-N
XLogP4.43
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 54.43
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 3-chloro-4-methylbenzenediazonium tetrafluoroborate?
The IUPAC name of 3-chloro-4-methylbenzenediazonium tetrafluoroborate (CID 82973633) is 3-chloro-4-methylbenzenediazonium tetrafluoroborate.
What is the SMILES notation for 3-chloro-4-methylbenzenediazonium tetrafluoroborate?
The canonical SMILES for 3-chloro-4-methylbenzenediazonium tetrafluoroborate is Cc1ccc([N+]#N)cc1Cl.F[B-](F)(F)F.
What is the InChIKey of 3-chloro-4-methylbenzenediazonium tetrafluoroborate?
The InChIKey is OWWNNGNZZJFGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN2.BF4/c1-5-2-3-6(10-9)4-7(5)8;2-1(3,4)5/h2-4H,1H3;/q+1;-1.
What are the key properties of 3-chloro-4-methylbenzenediazonium tetrafluoroborate?
3-chloro-4-methylbenzenediazonium tetrafluoroborate has a molecular weight of 240.40 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methylbenzenediazonium tetrafluoroborate is sourced from PubChem (CID 82973633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).