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258506-74-0 molecular structure
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4-chloro-6-iodopyrimidine

ChemBase ID: 814642
Molecular Formular: C4H2ClIN2
Molecular Mass: 240.42955
Monoisotopic Mass: 239.89512375
SMILES and InChIs

SMILES:
c1c(ncnc1I)Cl
Canonical SMILES:
Clc1ncnc(c1)I
InChI:
InChI=1S/C4H2ClIN2/c5-3-1-4(6)8-2-7-3/h1-2H
InChIKey:
RVYPGXBNZPGMFY-UHFFFAOYSA-N

Cite this record

CBID:814642 http://www.chembase.cn/molecule-814642.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-iodopyrimidine
IUPAC Traditional name
4-chloro-6-iodopyrimidine
Synonyms
4-chloro-6-iodopyrimidine
CAS Number
258506-74-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36842 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36842 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8354893  LogD (pH = 7.4) 1.8354894 
Log P 1.8354894  Molar Refractivity 41.659 cm3
Polarizability 16.037054 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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