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16499-57-3 molecular structure
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7-fluoroquinazolin-4-ol

ChemBase ID: 812448
Molecular Formular: C8H5FN2O
Molecular Mass: 164.1365032
Monoisotopic Mass: 164.03859101
SMILES and InChIs

SMILES:
c1c(cc2ncnc(c2c1)O)F
Canonical SMILES:
Fc1ccc2c(c1)ncnc2O
InChI:
InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
InChIKey:
KCORZHJVTZIZFD-UHFFFAOYSA-N

Cite this record

CBID:812448 http://www.chembase.cn/molecule-812448.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-fluoroquinazolin-4-ol
IUPAC Traditional name
7-fluoroquinazolin-4-ol
Synonyms
7-FLUOROQUINAZOLIN-4-OL
CAS Number
16499-57-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32621 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32621 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.611171  H Acceptors
H Donor LogD (pH = 5.5) 1.8586549 
LogD (pH = 7.4) 1.858654  Log P 1.8586566 
Molar Refractivity 41.3113 cm3 Polarizability 16.321367 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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