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123333-88-0 molecular structure
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trifluoroacetic acid copper hydrate

ChemBase ID: 303806
Molecular Formular: C2H3CuF3O3
Molecular Mass: 195.5846296
Monoisotopic Mass: 194.93302612
SMILES and InChIs

SMILES:
C(=O)(C(F)(F)F)O.O.[Cu]
Canonical SMILES:
OC(=O)C(F)(F)F.O.[Cu]
InChI:
InChI=1S/C2HF3O2.Cu.H2O/c3-2(4,5)1(6)7;;/h(H,6,7);;1H2
InChIKey:
AKQGQKFVDGRGJP-UHFFFAOYSA-N

Cite this record

CBID:303806 http://www.chembase.cn/molecule-303806.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trifluoroacetic acid copper hydrate
IUPAC Traditional name
trifluoroacetic acid copper hydrate
Synonyms
Copper(II) trifluoroacetate hydrate
CAS Number
123333-88-0
MDL Number
MFCD00013200

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar 44624 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 0.9503416  H Acceptors
H Donor LogD (pH = 5.5) -2.5809014 
LogD (pH = 7.4) -2.6199632  Log P 0.90898293 
Molar Refractivity 13.6539 cm3 Polarizability 5.227252 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
Crystalline expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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