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877264-43-2 molecular structure
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(5-fluoro-2-iodophenyl)methanol

ChemBase ID: 289214
Molecular Formular: C7H6FIO
Molecular Mass: 252.0248132
Monoisotopic Mass: 251.94474103
SMILES and InChIs

SMILES:
OCc1cc(F)ccc1I
Canonical SMILES:
OCc1cc(F)ccc1I
InChI:
InChI=1S/C7H6FIO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChIKey:
SLFLIEHAFIVXNZ-UHFFFAOYSA-N

Cite this record

CBID:289214 http://www.chembase.cn/molecule-289214.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-fluoro-2-iodophenyl)methanol
IUPAC Traditional name
(5-fluoro-2-iodophenyl)methanol
Synonyms
(5-Fluoro-2-iodophenyl)methanol
CAS Number
877264-43-2
PubChem SID
180674745
PubChem CID
11579697

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11579697 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.641168  H Acceptors
H Donor LogD (pH = 5.5) 2.2775424 
LogD (pH = 7.4) 2.2775424  Log P 2.2775424 
Molar Refractivity 46.4528 cm3 Polarizability 17.833773 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
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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