Potassium 4-carboxyphenyltrifluoroborate

• CAS: 850623-38-0
• Catalog Number: ACM850623380
• Category: Borate
• Molecular Weight: 228.02g/mol
• Molecular Formula: C7H5BF3KO2
• IUPAC Name: potassium;(4-carboxyphenyl)-trifluoroboranuide
• Canonical SMILES: [B-](C1=CC=C(C=C1)C(=O)O)(F)(F)F.[K+]
• InChI: InChI=1S/C7H5BF3O2.K/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13);/q-1;+1
• InChI Key: NMZCPMQLYMSRAD-UHFFFAOYSA-N
• Complexity: 202
• Covalently-Bonded Unit Count: 2
• Exact Mass: 227.997175g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 1
• Heavy Atom Count: 14
• Monoisotopic Mass: 227.997175g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of Potassium 4-carboxyphenyltrifluoroborate?

The molecular formula of Potassium 4-carboxyphenyltrifluoroborate is C7H5BF3KO2.

What is the molecular weight of Potassium 4-carboxyphenyltrifluoroborate?

The molecular weight of Potassium 4-carboxyphenyltrifluoroborate is 228.02 g/mol.

What is the IUPAC name of Potassium 4-carboxyphenyltrifluoroborate?

The IUPAC name of Potassium 4-carboxyphenyltrifluoroborate is potassium;(4-carboxyphenyl)-trifluoroboranuide.

What is the InChI of Potassium 4-carboxyphenyltrifluoroborate?

The InChI of Potassium 4-carboxyphenyltrifluoroborate is InChI=1S/C7H5BF3O2.K/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13);/q-1;+1.

What is the InChIKey of Potassium 4-carboxyphenyltrifluoroborate?

The InChIKey of Potassium 4-carboxyphenyltrifluoroborate is NMZCPMQLYMSRAD-UHFFFAOYSA-N.

What is the canonical SMILES of Potassium 4-carboxyphenyltrifluoroborate?

The canonical SMILES of Potassium 4-carboxyphenyltrifluoroborate is [B-](C1=CC=C(C=C1)C(=O)O)(F)(F)F.[K+].

What is the CAS number of Potassium 4-carboxyphenyltrifluoroborate?

The CAS number of Potassium 4-carboxyphenyltrifluoroborate is 850623-38-0.

What is the hydrogen bond donor count of Potassium 4-carboxyphenyltrifluoroborate?

The hydrogen bond donor count of Potassium 4-carboxyphenyltrifluoroborate is 1.

What is the hydrogen bond acceptor count of Potassium 4-carboxyphenyltrifluoroborate?

The hydrogen bond acceptor count of Potassium 4-carboxyphenyltrifluoroborate is 6.

Is Potassium 4-carboxyphenyltrifluoroborate a canonicalized compound?

Yes, Potassium 4-carboxyphenyltrifluoroborate is a canonicalized compound.