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135838-04-9 molecular structure
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6-fluoroquinolin-8-ol

ChemBase ID: 293107
Molecular Formular: C9H6FNO
Molecular Mass: 163.1484432
Monoisotopic Mass: 163.04334204
SMILES and InChIs

SMILES:
Oc1c2ncccc2cc(F)c1
Canonical SMILES:
Fc1cc2cccnc2c(c1)O
InChI:
InChI=1S/C9H6FNO/c10-7-4-6-2-1-3-11-9(6)8(12)5-7/h1-5,12H
InChIKey:
SCUWALYGODIPCH-UHFFFAOYSA-N

Cite this record

CBID:293107 http://www.chembase.cn/molecule-293107.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-fluoroquinolin-8-ol
IUPAC Traditional name
6-fluoroquinolin-8-ol
Synonyms
6-Fluoroquinolin-8-ol
CAS Number
135838-04-9
MDL Number
MFCD18414597
PubChem SID
180678638
PubChem CID
384160

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 384160 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.817582  H Acceptors
H Donor LogD (pH = 5.5) 1.9521171 
LogD (pH = 7.4) 1.8266093  Log P 1.9700371 
Molar Refractivity 42.1766 cm3 Polarizability 17.196114 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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