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13214-70-5 molecular structure
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2,3-diiodonaphthalene

ChemBase ID: 15948
Molecular Formular: C10H6I2
Molecular Mass: 379.96358
Monoisotopic Mass: 379.85589619
SMILES and InChIs

SMILES:
c1ccc2c(c1)cc(c(c2)I)I
Canonical SMILES:
Ic1cc2ccccc2cc1I
InChI:
InChI=1S/C10H6I2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H
InChIKey:
FFWAIAGCHIYVKA-UHFFFAOYSA-N

Cite this record

CBID:15948 http://www.chembase.cn/molecule-15948.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-diiodonaphthalene
IUPAC Traditional name
2,3-diiodonaphthalene
Synonyms
2,3-Diiodonaphthalene
CAS Number
13214-70-5
MDL Number
MFCD06656514
PubChem SID
160979255
PubChem CID
10937756

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
016568 external link Add to cart Please log in.
Data Source Data ID
PubChem 10937756 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.8206115  LogD (pH = 7.4) 4.8206115 
Log P 4.8206115  Molar Refractivity 69.2332 cm3
Polarizability 28.059654 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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