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50593-65-2 molecular structure
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8-chloro-6-methyl-2H-[1,3]dioxolo[4,5-g]quinoline

ChemBase ID: 308999
Molecular Formular: C11H8ClNO2
Molecular Mass: 221.63972
Monoisotopic Mass: 221.02435618
SMILES and InChIs

SMILES:
c12c(cc3c(c2)OCO3)c(cc(n1)C)Cl
Canonical SMILES:
Cc1cc(Cl)c2c(n1)cc1c(c2)OCO1
InChI:
InChI=1S/C11H8ClNO2/c1-6-2-8(12)7-3-10-11(15-5-14-10)4-9(7)13-6/h2-4H,5H2,1H3
InChIKey:
FMBGYAMLOKMHFK-UHFFFAOYSA-N

Cite this record

CBID:308999 http://www.chembase.cn/molecule-308999.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-chloro-6-methyl-2H-[1,3]dioxolo[4,5-g]quinoline
IUPAC Traditional name
8-chloro-6-methyl-2H-[1,3]dioxolo[4,5-g]quinoline
Synonyms
8-chloro-6-methyl[1,3]dioxolo[4,5-g]quinoline
CAS Number
50593-65-2
MDL Number
MFCD11868303

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) 2.4544945  LogD (pH = 7.4) 2.4890888 
Log P 2.4895487  Molar Refractivity 55.1425 cm3
Polarizability 23.03696 Å3 Polar Surface Area 31.35 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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