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Structure

potassium trifluoro(phenethyl)borate

CAS
329976-74-1
Catalog Number
ACM329976741
Category
Borate
Molecular Weight
212.06g/mol
Molecular Formula
C8H9BF3K

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Specification

IUPAC Name
potassium;trifluoro(2-phenylethyl)boranuide
Canonical SMILES
[B-](CCC1=CC=CC=C1)(F)(F)F.[K+]
InChI
InChI=1S/C8H9BF3.K/c10-9(11,12)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;/q-1;+1
InChI Key
SOZVPVAYKGJPJS-UHFFFAOYSA-N
Complexity
132
Covalently-Bonded Unit Count
2
Exact Mass
212.038646g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
13
Monoisotopic Mass
212.038646g/mol
Rotatable Bond Count
2
What is the IUPAC name of the compound?

The IUPAC name of the compound is potassium;trifluoro(2-phenylethyl)boranuide.

What is the molecular formula of the compound?

The molecular formula of the compound is C8H9BF3K.

What is the molecular weight of the compound?

The molecular weight of the compound is 212.06 g/mol.

What is the CAS number of the compound?

The CAS number of the compound is 329976-74-1.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.

What is the exact mass of the compound?

The exact mass of the compound is 212.0386464 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 0Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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