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14036-96-5 molecular structure
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3-bromo-6-methoxyquinoline

ChemBase ID: 288497
Molecular Formular: C10H8BrNO
Molecular Mass: 238.08062
Monoisotopic Mass: 236.97892588
SMILES and InChIs

SMILES:
COc1ccc2ncc(Br)cc2c1
Canonical SMILES:
COc1ccc2c(c1)cc(cn2)Br
InChI:
InChI=1S/C10H8BrNO/c1-13-9-2-3-10-7(5-9)4-8(11)6-12-10/h2-6H,1H3
InChIKey:
QRVOHWUZAXJDNZ-UHFFFAOYSA-N

Cite this record

CBID:288497 http://www.chembase.cn/molecule-288497.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-6-methoxyquinoline
IUPAC Traditional name
3-bromo-6-methoxyquinoline
Synonyms
3-Bromo-6-methoxyquinoline
CAS Number
14036-96-5
MDL Number
MFCD09260428
PubChem SID
180674028
PubChem CID
14758587

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14758587 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.740958  LogD (pH = 7.4) 2.7419689 
Log P 2.7419817  Molar Refractivity 54.0653 cm3
Polarizability 22.157797 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
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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