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MFCD08543451 molecular structure
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2,4-dichloro-6-iodoquinazoline

ChemBase ID: 92354
Molecular Formular: C8H3Cl2IN2
Molecular Mass: 324.93329
Monoisotopic Mass: 323.87180147
SMILES and InChIs

SMILES:
n1c(nc(c2cc(ccc12)I)Cl)Cl
Canonical SMILES:
Ic1ccc2c(c1)c(Cl)nc(n2)Cl
InChI:
InChI=1S/C8H3Cl2IN2/c9-7-5-3-4(11)1-2-6(5)12-8(10)13-7/h1-3H
InChIKey:
ZSIKVJNEGVNYIC-UHFFFAOYSA-N

Cite this record

CBID:92354 http://www.chembase.cn/molecule-92354.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-6-iodoquinazoline
IUPAC Traditional name
2,4-dichloro-6-iodoquinazoline
Synonyms
2,4-Dichloro-6-iodoquinazoline
MDL Number
MFCD08543451
PubChem SID
162079052
PubChem CID
11461506

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR8912 external link Add to cart Please log in.
Data Source Data ID
PubChem 11461506 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.086779  LogD (pH = 7.4) 4.086779 
Log P 4.086779  Molar Refractivity 63.5277 cm3
Polarizability 25.216806 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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