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2713-28-2 molecular structure
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2-fluoro-4-iodophenol

ChemBase ID: 798789
Molecular Formular: C6H4FIO
Molecular Mass: 237.9982332
Monoisotopic Mass: 237.92909097
SMILES and InChIs

SMILES:
c1(c(cc(cc1)I)F)O
Canonical SMILES:
Ic1ccc(c(c1)F)O
InChI:
InChI=1S/C6H4FIO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
InChIKey:
FDOQGGGFQVVOBN-UHFFFAOYSA-N

Cite this record

CBID:798789 http://www.chembase.cn/molecule-798789.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-4-iodophenol
IUPAC Traditional name
2-fluoro-4-iodophenol
Synonyms
2-fluoro-4-iodophenol
CAS Number
2713-28-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12268 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12268 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.010544  H Acceptors
H Donor LogD (pH = 5.5) 2.7399988 
LogD (pH = 7.4) 2.6469104  Log P 2.7413268 
Molar Refractivity 41.6178 cm3 Polarizability 16.050468 Å3
Polar Surface Area 20.23 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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