1,3-Bis(2,4,6-trimethylphenyl)imidazolium tetrafluoroborate

• CAS: 286014-53-7
• Catalog Number: ACM286014537
• Category: Organic Phosphine Compounds
• Molecular Weight: 392.24
• Molecular Formula: C₂₁H₂₅BF₄N₂
• Synonyms: 1,3-BIS(2,4,6-TRIMETHYLPHENYL)-IMIDAZOLIDINIUM-TETRAFLUOROBORATE;1,3-BIS-(2,4,6-TRIMETHYLPHENYL)-IMIDAZOLIUM TETRAFLUOROBORATE
• IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;tetrafluoroborate
• Canonical SMILES: [B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C)C
• InChI Key: VMNIOVNFFKZSAL-UHFFFAOYSA-N
• Appearance: white solid
• Exact Mass: 392.20500
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of 1,3-Bis(2,4,6-trimethylphenyl)imidazolium tetrafluoroborate?

The molecular formula is C21H25BF4N2.

What is the molecular weight of 1,3-Bis(2,4,6-trimethylphenyl)imidazolium tetrafluoroborate?

The molecular weight is 392.2 g/mol.

What is the IUPAC name of 1,3-Bis(2,4,6-trimethylphenyl)imidazolium tetrafluoroborate?

The IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;tetrafluoroborate.

What is the InChI of 1,3-Bis(2,4,6-trimethylphenyl)imidazolium tetrafluoroborate?

The InChI is InChI=1S/C21H25N2.BF4/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2-1(3,4)5/h7-13H,1-6H3;/q+1;-1.

What is the InChIKey of 1,3-Bis(2,4,6-trimethylphenyl)imidazolium tetrafluoroborate?

The InChIKey is VMNIOVNFFKZSAL-UHFFFAOYSA-N.

What is the canonical SMILES of 1,3-Bis(2,4,6-trimethylphenyl)imidazolium tetrafluoroborate?

The canonical SMILES is [B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C).

What is the hydrogen bond donor count of 1,3-Bis(2,4,6-trimethylphenyl)imidazolium tetrafluoroborate?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of 1,3-Bis(2,4,6-trimethylphenyl)imidazolium tetrafluoroborate?

The hydrogen bond acceptor count is 5.

What is the rotatable bond count of 1,3-Bis(2,4,6-trimethylphenyl)imidazolium tetrafluoroborate?

The rotatable bond count is 2.

Is 1,3-Bis(2,4,6-trimethylphenyl)imidazolium tetrafluoroborate a canonicalized compound?

Yes, it is a canonicalized compound.