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92172-83-3 molecular structure
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(2-chloro-6-methoxyquinolin-3-yl)methanol

ChemBase ID: 101780
Molecular Formular: C11H10ClNO2
Molecular Mass: 223.6556
Monoisotopic Mass: 223.04000625
SMILES and InChIs

SMILES:
n1c(c(cc2c1ccc(c2)OC)CO)Cl
Canonical SMILES:
COc1ccc2c(c1)cc(c(n2)Cl)CO
InChI:
InChI=1S/C11H10ClNO2/c1-15-9-2-3-10-7(5-9)4-8(6-14)11(12)13-10/h2-5,14H,6H2,1H3
InChIKey:
AKKPSGFLKITYGV-UHFFFAOYSA-N

Cite this record

CBID:101780 http://www.chembase.cn/molecule-101780.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-chloro-6-methoxyquinolin-3-yl)methanol
IUPAC Traditional name
(2-chloro-6-methoxyquinolin-3-yl)methanol
Synonyms
2-Chloro-6-methoxyquinoline-3-methanol
CAS Number
92172-83-3
MDL Number
MFCD02232332
PubChem SID
162088874
PubChem CID
865110

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 865110 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.461874  H Acceptors
H Donor LogD (pH = 5.5) 2.0300984 
LogD (pH = 7.4) 2.0301013  Log P 2.0301013 
Molar Refractivity 59.1245 cm3 Polarizability 23.838297 Å3
Polar Surface Area 42.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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