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34074-22-1 molecular structure
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2,6-dichloro-4-iodophenol

ChemBase ID: 289393
Molecular Formular: C6H3Cl2IO
Molecular Mass: 288.89789
Monoisotopic Mass: 287.86056808
SMILES and InChIs

SMILES:
Oc1c(Cl)cc(I)cc1Cl
Canonical SMILES:
Ic1cc(Cl)c(c(c1)Cl)O
InChI:
InChI=1S/C6H3Cl2IO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
InChIKey:
AIGWECICLKWOIR-UHFFFAOYSA-N

Cite this record

CBID:289393 http://www.chembase.cn/molecule-289393.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichloro-4-iodophenol
IUPAC Traditional name
2,6-dichloro-4-iodophenol
Synonyms
2,6-Dichloro-4-iodophenol
CAS Number
34074-22-1
MDL Number
MFCD00466446
PubChem SID
180674924
PubChem CID
4493083

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD220268 Please log in.
Data Source Data ID
PubChem 4493083 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 5.5) 3.7043278  LogD (pH = 7.4) 2.5274873 
Log P 3.8067143  Molar Refractivity 51.011 cm3
Polarizability 20.18628 Å3 Polar Surface Area 20.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 6.0708246  H Acceptors
H Donor

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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