Potassium trifluoro(naphthalen-2-yl)borate(1-)

CAS Number: 668984-08-5
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F[B-](c1cc2ccccc2cc1)(F)F.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C10H7BF3
Molecular Weight
194.971
Drug-likeness
-13.288
CAS
668984-08-5
InChI key
FXRJHJJHIOIXKE-UHFFFAOYSA-N
SMILES
F[B-](c1cc2ccccc2cc1)(F)F.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 668984-08-5
Molecule Name Potassium trifluoro(naphthalen-2-yl)borate(1-)
Molecular Formula K.C10H7BF3
SMILES F[B-](c1cc2ccccc2cc1)(F)F.[K+]
InChI InChI=1S/C10H7BF3.K/c12-11(13,14)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H;/q-1;+1
InChI Key FXRJHJJHIOIXKE-UHFFFAOYSA-N
CanonicalSyTyLFy 17c44d964297389b
TotalMolweight 234.069
Molecular Weight 194.971
MonoisotopicMass 195.059289
CLogP 2.5774
CLogS -3.041
TotalSurfaceArea 140.45
Drug-likeness -13.288
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions unwanted atom
Shape Index 0.57143
Molecula Flexibility 0.31941
Molecular Complexity 0.62953
Fragments 2
Non HAtoms 14
NonCHAtoms 4
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 10
Symmetricatoms 2

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