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37778-22-6 molecular structure
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3-bromo-4-methylquinolin-2-ol

ChemBase ID: 308424
Molecular Formular: C10H8BrNO
Molecular Mass: 238.08062
Monoisotopic Mass: 236.97892588
SMILES and InChIs

SMILES:
n1c(c(c(c2c1cccc2)C)Br)O
Canonical SMILES:
Brc1c(O)nc2c(c1C)cccc2
InChI:
InChI=1S/C10H8BrNO/c1-6-7-4-2-3-5-8(7)12-10(13)9(6)11/h2-5H,1H3,(H,12,13)
InChIKey:
ATONPIUAJAKDQK-UHFFFAOYSA-N

Cite this record

CBID:308424 http://www.chembase.cn/molecule-308424.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-4-methylquinolin-2-ol
IUPAC Traditional name
3-bromo-4-methylquinolin-2-ol
Synonyms
3-bromo-4-methyl-2-quinolinol
CAS Number
37778-22-6
MDL Number
MFCD02315177

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4030122 external link Add to cart
Data Source Data ID Price
ChemBridge
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7039363  LogD (pH = 7.4) 3.7032785 
Log P 3.7039666  Molar Refractivity 54.9377 cm3
Polarizability 22.025534 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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