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824983-56-4 molecular structure
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(5-fluorothiophen-2-yl)methanol

ChemBase ID: 289555
Molecular Formular: C5H5FOS
Molecular Mass: 132.1560032
Monoisotopic Mass: 132.004514
SMILES and InChIs

SMILES:
OCc1ccc(F)s1
Canonical SMILES:
OCc1ccc(s1)F
InChI:
InChI=1S/C5H5FOS/c6-5-2-1-4(3-7)8-5/h1-2,7H,3H2
InChIKey:
ANQLQOQLYYSYQP-UHFFFAOYSA-N

Cite this record

CBID:289555 http://www.chembase.cn/molecule-289555.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-fluorothiophen-2-yl)methanol
IUPAC Traditional name
(5-fluorothiophen-2-yl)methanol
Synonyms
(5-Fluorothiophen-2-yl)methanol
CAS Number
824983-56-4
MDL Number
MFCD15976395
PubChem SID
180675086
PubChem CID
50896580

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD223765 Please log in.
Data Source Data ID
PubChem 50896580 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.1009035  H Acceptors
H Donor LogD (pH = 5.5) 1.4274753 
LogD (pH = 7.4) 1.4274752  Log P 1.4274753 
Molar Refractivity 29.1401 cm3 Polarizability 11.255278 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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