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139399-63-6 molecular structure
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4-bromoquinolin-8-ol

ChemBase ID: 90509
Molecular Formular: C9H6BrNO
Molecular Mass: 224.05404
Monoisotopic Mass: 222.96327582
SMILES and InChIs

SMILES:
n1ccc(c2cccc(c12)O)Br
Canonical SMILES:
Brc1ccnc2c1cccc2O
InChI:
InChI=1S/C9H6BrNO/c10-7-4-5-11-9-6(7)2-1-3-8(9)12/h1-5,12H
InChIKey:
CNBUFEUMIIGYIU-UHFFFAOYSA-N

Cite this record

CBID:90509 http://www.chembase.cn/molecule-90509.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromoquinolin-8-ol
IUPAC Traditional name
4-bromoquinolin-8-ol
Synonyms
4-Bromoquinolin-8-ol
4-Bromo-8-hydroxyquinoline
4-Bromoquinolin-8-ol
CAS Number
139399-63-6
MDL Number
MFCD08688609
PubChem SID
162077306
PubChem CID
384165

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 384165 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.207281  H Acceptors
H Donor LogD (pH = 5.5) 2.589039 
LogD (pH = 7.4) 2.5892467  Log P 2.5960877 
Molar Refractivity 49.583 cm3 Polarizability 20.266811 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Air Sensitive/Light Sensitive/Store under Argon expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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