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888711-47-5 molecular structure
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potassium trifluoro(iodomethyl)boranuide

ChemBase ID: 98623
Molecular Formular: CH2BF3IK
Molecular Mass: 247.8355596
Monoisotopic Mass: 247.8883448
SMILES and InChIs

SMILES:
[B-](F)(F)(CI)F.[K+]
Canonical SMILES:
F[B-](CI)(F)F.[K+]
InChI:
InChI=1S/CH2BF3I.K/c3-2(4,5)1-6;/h1H2;/q-1;+1
InChIKey:
WQJVWRYIXQXISQ-UHFFFAOYSA-N

Cite this record

CBID:98623 http://www.chembase.cn/molecule-98623.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium trifluoro(iodomethyl)boranuide
IUPAC Traditional name
potassium ion trifluoro(iodomethyl)boranuide
Synonyms
Potassium (iodomethyl)trifluoroborate
CAS Number
888711-47-5
PubChem SID
162085019
PubChem CID
23674071

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 23674071 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0904  LogD (pH = 7.4) 2.0904 
Log P 2.0904  Molar Refractivity 22.6232 cm3
Polarizability 10.101132 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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