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353517-94-9 molecular structure
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2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]quinolin-8-ol

ChemBase ID: 311686
Molecular Formular: C15H10BrNOS
Molecular Mass: 332.215
Monoisotopic Mass: 330.96664695
SMILES and InChIs

SMILES:
n1c2c(O)cccc2ccc1/C=C/c1sc(cc1)Br
Canonical SMILES:
Brc1ccc(s1)/C=C/c1ccc2c(n1)c(O)ccc2
InChI:
InChI=1S/C15H10BrNOS/c16-14-9-8-12(19-14)7-6-11-5-4-10-2-1-3-13(18)15(10)17-11/h1-9,18H/b7-6+
InChIKey:
XTQOBCQQVGVHDH-VOTSOKGWSA-N

Cite this record

CBID:311686 http://www.chembase.cn/molecule-311686.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]quinolin-8-ol
IUPAC Traditional name
2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]quinolin-8-ol
Synonyms
2-[(E)-2-(5-bromo-2-thienyl)vinyl]quinolin-8-ol
CAS Number
353517-94-9
MDL Number
MFCD01929801

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.225288  LogD (pH = 7.4) 5.242805 
Log P 5.2484674  Molar Refractivity 80.6405 cm3
Polarizability 32.104393 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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INTERNET

INTERNET

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