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99073-81-1 molecular structure
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2-bromo-8-methylquinoline

ChemBase ID: 291438
Molecular Formular: C10H8BrN
Molecular Mass: 222.08122
Monoisotopic Mass: 220.98401126
SMILES and InChIs

SMILES:
Cc1c2nc(Br)ccc2ccc1
Canonical SMILES:
Brc1ccc2c(n1)c(C)ccc2
InChI:
InChI=1S/C10H8BrN/c1-7-3-2-4-8-5-6-9(11)12-10(7)8/h2-6H,1H3
InChIKey:
LGBSPUHZUXLUSJ-UHFFFAOYSA-N

Cite this record

CBID:291438 http://www.chembase.cn/molecule-291438.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-8-methylquinoline
IUPAC Traditional name
2-bromo-8-methylquinoline
Synonyms
2-Bromo-8-methylquinoline
CAS Number
99073-81-1
MDL Number
MFCD16295127
PubChem SID
180676969
PubChem CID
15709392

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231279 Please log in.
Data Source Data ID
PubChem 15709392 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6185834  LogD (pH = 7.4) 3.6185963 
Log P 3.6185966  Molar Refractivity 53.4855 cm3
Polarizability 21.425844 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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