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203626-51-1 molecular structure
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6,7-dichloroquinolin-4-ol

ChemBase ID: 816050
Molecular Formular: C9H5Cl2NO
Molecular Mass: 214.0481
Monoisotopic Mass: 212.97481915
SMILES and InChIs

SMILES:
c1(cc2c(cc1Cl)c(ccn2)O)Cl
Canonical SMILES:
Clc1cc2c(O)ccnc2cc1Cl
InChI:
InChI=1S/C9H5Cl2NO/c10-6-3-5-8(4-7(6)11)12-2-1-9(5)13/h1-4H,(H,12,13)
InChIKey:
OIBDGJOVXZXMSP-UHFFFAOYSA-N

Cite this record

CBID:816050 http://www.chembase.cn/molecule-816050.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6,7-dichloroquinolin-4-ol
IUPAC Traditional name
6,7-dichloroquinolin-4-ol
Synonyms
4-HYDROXY-6,7-DICHLOROQUINOLINE
CAS Number
203626-51-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O39671 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O39671 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.463623  H Acceptors
H Donor LogD (pH = 5.5) 3.0353944 
LogD (pH = 7.4) 3.0350559  Log P 3.0354245 
Molar Refractivity 51.5698 cm3 Polarizability 21.316225 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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