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5968-84-3 molecular structure
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iron(3+) ion tridimethylarsinate

ChemBase ID: 107278
Molecular Formular: C6H18As3FeO6
Molecular Mass: 466.81332
Monoisotopic Mass: 466.8100638
SMILES and InChIs

SMILES:
[Fe+3].C[As](=O)(C)[O-].C[As](=O)(C)[O-].C[As](=O)(C)[O-]
Canonical SMILES:
[O-][As](=O)(C)C.[O-][As](=O)(C)C.[O-][As](=O)(C)C.[Fe+3]
InChI:
InChI=1S/3C2H7AsO2.Fe/c3*1-3(2,4)5;/h3*1-2H3,(H,4,5);/q;;;+3/p-3
InChIKey:
LZHICUSBBXKVSP-UHFFFAOYSA-K

Cite this record

CBID:107278 http://www.chembase.cn/molecule-107278.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
iron(3+) ion tridimethylarsinate
IUPAC Traditional name
ferric iron tricacodylate ion
Synonyms
FERRIC CACODYLATE
CAS Number
5968-84-3
PubChem SID
162094525
PubChem CID
22273

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05203180 external link Add to cart Please log in.
Data Source Data ID
PubChem 22273 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.222334  H Acceptors
H Donor LogD (pH = 5.5) -0.40412536 
LogD (pH = 7.4) -1.5005654  Log P -0.3292 
Molar Refractivity 14.7772 cm3 Polarizability 9.505158 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05203180 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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