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203626-38-4 molecular structure
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6-chloro-8-methylquinolin-4-ol

ChemBase ID: 816044
Molecular Formular: C10H8ClNO
Molecular Mass: 193.62962
Monoisotopic Mass: 193.02944156
SMILES and InChIs

SMILES:
c1c(c2c(cc1Cl)c(ccn2)O)C
Canonical SMILES:
Clc1cc(C)c2c(c1)c(O)ccn2
InChI:
InChI=1S/C10H8ClNO/c1-6-4-7(11)5-8-9(13)2-3-12-10(6)8/h2-5H,1H3,(H,12,13)
InChIKey:
JXKDLLRAADOUNF-UHFFFAOYSA-N

Cite this record

CBID:816044 http://www.chembase.cn/molecule-816044.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-8-methylquinolin-4-ol
IUPAC Traditional name
6-chloro-8-methylquinolin-4-ol
Synonyms
6-CHLORO-4-HYDROXY-8-METHYLQUINOLINE
CAS Number
203626-38-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O39664 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O39664 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.738983  H Acceptors
H Donor LogD (pH = 5.5) 2.9446971 
LogD (pH = 7.4) 2.9446044  Log P 2.9448013 
Molar Refractivity 51.8062 cm3 Polarizability 21.170935 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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