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53790-82-2 molecular structure
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5,8-dichloroquinolin-4-ol

ChemBase ID: 816032
Molecular Formular: C9H5Cl2NO
Molecular Mass: 214.0481
Monoisotopic Mass: 212.97481915
SMILES and InChIs

SMILES:
c1c(c2c(c(c1)Cl)c(ccn2)O)Cl
Canonical SMILES:
Oc1ccnc2c1c(Cl)ccc2Cl
InChI:
InChI=1S/C9H5Cl2NO/c10-5-1-2-6(11)9-8(5)7(13)3-4-12-9/h1-4H,(H,12,13)
InChIKey:
OSBCPHAGCKLYDB-UHFFFAOYSA-N

Cite this record

CBID:816032 http://www.chembase.cn/molecule-816032.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,8-dichloroquinolin-4-ol
IUPAC Traditional name
5,8-dichloroquinolin-4-ol
Synonyms
5,8-DICHLORO-4-HYDROXYQUINOLINE
CAS Number
53790-82-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O39645 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O39645 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.035631  H Acceptors
H Donor LogD (pH = 5.5) 3.035399 
LogD (pH = 7.4) 3.0344393  Log P 3.0354245 
Molar Refractivity 51.5698 cm3 Polarizability 21.319714 Å3
Polar Surface Area 33.12 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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