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Structure

Potassium (3-chloro-4-fluorophenyl)trifluoroborate

CAS
850623-59-5
Catalog Number
ACM850623595
Category
Borate
Molecular Weight
236.44
Molecular Formula
C6H3BClF4K

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Specification

Synonyms
850623-59-5, Potassium (3-chloro-4-fluorophenyl)trifluoroborate, CTK8B3645, MolPort-001-772-368, ANW-42869, SBB098645, AKOS009158593, AB20546, PC11231, AK139942, B-5221, A841167, Potassium (3-chloro-4-fluorophenyl)trifluoroborate,, I14-31118, potassium (3-chloro-4-fluorophenyl)-trifluoroboranuide, potassium ion (3-chloro-4-fluorophenyl)trifluoroboranuide, POTASSIUM (3-CHLORO-4-FLUOROPHENYL)TRIFLUOROBORANUIDE, potassium (3-chloranyl-4-fluoranyl-phenyl)-tris(fluoranyl)boranuide
IUPAC Name
potassium;(3-chloro-4-fluorophenyl)-trifluoroboranuide
Canonical SMILES
[B-](C1=CC(=C(C=C1)F)Cl)(F)(F)F.[K+]
InChI Key
YIBSBTTVMHWMNU-UHFFFAOYSA-N
Melting Point
234-244ºC
Exact Mass
235.95900
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of Potassium (3-chloro-4-fluorophenyl)trifluoroborate?

The molecular formula is C6H3BClF4K.

What is the molecular weight of Potassium (3-chloro-4-fluorophenyl)trifluoroborate?

The molecular weight is 236.44 g/mol.

What is the IUPAC name of Potassium (3-chloro-4-fluorophenyl)trifluoroborate?

The IUPAC name is potassium;(3-chloro-4-fluorophenyl)-trifluoroboranuide.

What is the InChI of Potassium (3-chloro-4-fluorophenyl)trifluoroborate?

The InChI is InChI=1S/C6H3BClF4.K/c8-5-3-4(7(10,11)12)1-2-6(5)9;/h1-3H;/q-1;+1.

What is the InChIKey of Potassium (3-chloro-4-fluorophenyl)trifluoroborate?

The InChIKey is YIBSBTTVMHWMNU-UHFFFAOYSA-N.

What is the canonical SMILES of Potassium (3-chloro-4-fluorophenyl)trifluoroborate?

The canonical SMILES is [B-](C1=CC(=C(C=C1)F)Cl)(F)(F)F.[K+].

What is the CAS number of Potassium (3-chloro-4-fluorophenyl)trifluoroborate?

The CAS number is 850623-59-5.

What is the hydrogen bond donor count of Potassium (3-chloro-4-fluorophenyl)trifluoroborate?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of Potassium (3-chloro-4-fluorophenyl)trifluoroborate?

The hydrogen bond acceptor count is 5.

Is Potassium (3-chloro-4-fluorophenyl)trifluoroborate a canonicalized compound?

Yes, it is a canonicalized compound.

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