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1150654-57-1 molecular structure
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potassium [4-(2-ethoxy-2-oxoethoxy)phenyl]trifluoroboranuide

ChemBase ID: 98008
Molecular Formular: C10H11BF3KO3
Molecular Mass: 286.0970496
Monoisotopic Mass: 286.03904095
SMILES and InChIs

SMILES:
O(c1ccc(cc1)[B-](F)(F)F)CC(=O)OCC.[K+]
Canonical SMILES:
F[B-](c1ccc(cc1)OCC(=O)OCC)(F)F.[K+]
InChI:
InChI=1S/C10H11BF3O3.K/c1-2-16-10(15)7-17-9-5-3-8(4-6-9)11(12,13)14;/h3-6H,2,7H2,1H3;/q-1;+1
InChIKey:
DHFZZPHCWFAYGB-UHFFFAOYSA-N

Cite this record

CBID:98008 http://www.chembase.cn/molecule-98008.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium [4-(2-ethoxy-2-oxoethoxy)phenyl]trifluoroboranuide
IUPAC Traditional name
potassium ion [4-(2-ethoxy-2-oxoethoxy)phenyl]trifluoroboranuide
Synonyms
Potassium [4-(2-ethoxy-2-oxoethoxy)phenyl]trifluoroborate
Potassium (4-{[(ethoxycarbonyl)methyl]oxy}phenyl)trifluoroborate
CAS Number
1150654-57-1
PubChem SID
162084481
PubChem CID
46739272

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 46739272 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.793  LogD (pH = 7.4) 1.793 
Log P 1.793  Molar Refractivity 52.0437 cm3
Polarizability 20.815592 Å3 Polar Surface Area 35.53 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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