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37981-00-3 molecular structure
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λ2-cobalt(2+) ion bis(2-(N-phenylcarboximidoyl)benzen-1-olate)

ChemBase ID: 137829
Molecular Formular: C26H20CoN2O2
Molecular Mass: 451.3824
Monoisotopic Mass: 451.08567289
SMILES and InChIs

SMILES:
c1ccc(cc1)/N=C/c1c(cccc1)[O-].c1ccc(cc1)/N=C/c1c(cccc1)[O-].[Co+2]
Canonical SMILES:
[O-]c1ccccc1/C=N/c1ccccc1.[O-]c1ccccc1/C=N/c1ccccc1.[Co+2]
InChI:
InChI=1S/2C13H11NO.Co/c2*15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;/h2*1-10,15H;/q;;+2/p-2
InChIKey:
LZZGBLDHHRNETH-UHFFFAOYSA-L

Cite this record

CBID:137829 http://www.chembase.cn/molecule-137829.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
λ2-cobalt(2+) ion bis(2-(N-phenylcarboximidoyl)benzen-1-olate)
IUPAC Traditional name
λ2-cobalt(2+) ion bis(2-(N-phenylcarboximidoyl)benzenolate)
Synonyms
N,N′-Bis(salicylidene)dianilinocobalt(II)
N,N′-双(亚水杨基)二苯胺基钴(II)
CAS Number
37981-00-3
PubChem SID
162232090
PubChem CID
71310081

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
307416 external link Add to cart Please log in.
Data Source Data ID
PubChem 71310081 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.833326  H Acceptors
H Donor LogD (pH = 5.5) 3.543593 
LogD (pH = 7.4) 3.528319  Log P 3.5439415 
Molar Refractivity 73.9188 cm3 Polarizability 22.82438 Å3
Polar Surface Area 35.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
192-194 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Empirical Formula (Hill Notation)
C26H22CoN2O2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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