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391-83-3 molecular structure
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7-fluoroquinolin-4-ol

ChemBase ID: 94595
Molecular Formular: C9H6FNO
Molecular Mass: 163.1484432
Monoisotopic Mass: 163.04334204
SMILES and InChIs

SMILES:
n1ccc(c2c1cc(cc2)F)O
Canonical SMILES:
Fc1ccc2c(c1)nccc2O
InChI:
InChI=1S/C9H6FNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)
InChIKey:
ZLHGUGJJHJJVHV-UHFFFAOYSA-N

Cite this record

CBID:94595 http://www.chembase.cn/molecule-94595.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-fluoroquinolin-4-ol
IUPAC Traditional name
7-fluoroquinolin-4-ol
Synonyms
7-Fluoro-4-hydroxyquinoline
CAS Number
391-83-3
MDL Number
MFCD00269612
PubChem SID
162081249
PubChem CID
2774496

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2774496 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.601673  H Acceptors
H Donor LogD (pH = 5.5) 1.9697987 
LogD (pH = 7.4) 1.9697658  Log P 1.9700371 
Molar Refractivity 42.1766 cm3 Polarizability 17.190712 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
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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