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1065092-35-4 molecular structure
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8-bromo-5-fluoroquinolin-4-ol

ChemBase ID: 52815
Molecular Formular: C9H5BrFNO
Molecular Mass: 242.0445032
Monoisotopic Mass: 240.95385401
SMILES and InChIs

SMILES:
c1cc(c2c(c1F)c(ccn2)O)Br
Canonical SMILES:
Brc1ccc(c2c1nccc2O)F
InChI:
InChI=1S/C9H5BrFNO/c10-5-1-2-6(11)8-7(13)3-4-12-9(5)8/h1-4H,(H,12,13)
InChIKey:
NGLVFYGOSNNWEE-UHFFFAOYSA-N

Cite this record

CBID:52815 http://www.chembase.cn/molecule-52815.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-bromo-5-fluoroquinolin-4-ol
IUPAC Traditional name
8-bromo-5-fluoroquinolin-4-ol
Synonyms
8-Bromo-5-fluoroquinolin-4-ol
CAS Number
1065092-35-4
MDL Number
MFCD15527288
PubChem SID
162057578
PubChem CID
49757959

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
057504 external link Add to cart Please log in.
Data Source Data ID
PubChem 49757959 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five true  Acid pKa 10.393945 
H Acceptors H Donor
LogD (pH = 5.5) 2.7387474  LogD (pH = 7.4) 2.7383575 
Log P 2.7387898  Molar Refractivity 49.7994 cm3
Polarizability 20.060308 Å3 Polar Surface Area 33.12 Å2
Rotatable Bonds

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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