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312941-39-2 molecular structure
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2-chloro-5,7-dimethylquinolin-8-ol

ChemBase ID: 310623
Molecular Formular: C11H10ClNO
Molecular Mass: 207.6562
Monoisotopic Mass: 207.04509163
SMILES and InChIs

SMILES:
c12nc(ccc1c(cc(c2O)C)C)Cl
Canonical SMILES:
Clc1ccc2c(n1)c(O)c(cc2C)C
InChI:
InChI=1S/C11H10ClNO/c1-6-5-7(2)11(14)10-8(6)3-4-9(12)13-10/h3-5,14H,1-2H3
InChIKey:
UZHWQMSRJRJPKC-UHFFFAOYSA-N

Cite this record

CBID:310623 http://www.chembase.cn/molecule-310623.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-5,7-dimethylquinolin-8-ol
IUPAC Traditional name
2-chloro-5,7-dimethylquinolin-8-ol
Synonyms
2-chloro-5,7-dimethylquinolin-8-ol
CAS Number
312941-39-2
MDL Number
MFCD00168949

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.678299  LogD (pH = 7.4) 3.6759229 
Log P 3.6783998  Molar Refractivity 57.9087 cm3
Polarizability 23.00009 Å3 Polar Surface Area 33.12 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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