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1027642-25-6 molecular structure
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potassium [(benzyloxy)methyl]trifluoroboranuide

ChemBase ID: 98006
Molecular Formular: C8H9BF3KO
Molecular Mass: 228.0609696
Monoisotopic Mass: 228.03356165
SMILES and InChIs

SMILES:
O(Cc1ccccc1)C[B-](F)(F)F.[K+]
Canonical SMILES:
F[B-](COCc1ccccc1)(F)F.[K+]
InChI:
InChI=1S/C8H9BF3O.K/c10-9(11,12)7-13-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;/q-1;+1
InChIKey:
MVZQNVFTJPRHAF-UHFFFAOYSA-N

Cite this record

CBID:98006 http://www.chembase.cn/molecule-98006.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium [(benzyloxy)methyl]trifluoroboranuide
IUPAC Traditional name
potassium ion [(benzyloxy)methyl]trifluoroboranuide
Synonyms
Potassium [(benzyloxy)methyl]trifluoroborate
CAS Number
1027642-25-6
PubChem SID
162084479
PubChem CID
45588183

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 45588183 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4637  LogD (pH = 7.4) 2.4637 
Log P 2.4637  Molar Refractivity 40.853 cm3
Polarizability 16.260569 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/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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