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262353-34-4 molecular structure
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2,4-diiodopyrimidine

ChemBase ID: 66651
Molecular Formular: C4H2I2N2
Molecular Mass: 331.88102
Monoisotopic Mass: 331.83074407
SMILES and InChIs

SMILES:
c1(nc(ccn1)I)I
Canonical SMILES:
Ic1ccnc(n1)I
InChI:
InChI=1S/C4H2I2N2/c5-3-1-2-7-4(6)8-3/h1-2H
InChIKey:
OWKYCEXJWCVTMS-UHFFFAOYSA-N

Cite this record

CBID:66651 http://www.chembase.cn/molecule-66651.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-diiodopyrimidine
IUPAC Traditional name
2,4-diiodopyrimidine
Synonyms
2,4-Diiodopyrimidine
CAS Number
262353-34-4
MDL Number
MFCD09743716
PubChem SID
162032388
PubChem CID
11221242

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11221242 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0571282  LogD (pH = 7.4) 2.0571282 
Log P 2.0571282  Molar Refractivity 48.496 cm3
Polarizability 19.711678 Å3 Polar Surface Area 25.78 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
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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