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1261615-96-6 molecular structure
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(3-fluoro-4-iodophenyl)methanol

ChemBase ID: 291685
Molecular Formular: C7H6FIO
Molecular Mass: 252.0248132
Monoisotopic Mass: 251.94474103
SMILES and InChIs

SMILES:
OCc1ccc(I)c(F)c1
Canonical SMILES:
OCc1ccc(c(c1)F)I
InChI:
InChI=1S/C7H6FIO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4H2
InChIKey:
CJCIAGJETMTBJI-UHFFFAOYSA-N

Cite this record

CBID:291685 http://www.chembase.cn/molecule-291685.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-fluoro-4-iodophenyl)methanol
IUPAC Traditional name
(3-fluoro-4-iodophenyl)methanol
Synonyms
(3-Fluoro-4-iodophenyl)methanol
CAS Number
1261615-96-6
MDL Number
MFCD18396947
PubChem SID
180677216
PubChem CID
70700244

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231718 Please log in.
Data Source Data ID
PubChem 70700244 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.811383  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 17.842886 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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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