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77119-53-0 molecular structure
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2-chloro-6-fluoroquinoline

ChemBase ID: 294252
Molecular Formular: C9H5ClFN
Molecular Mass: 181.5941032
Monoisotopic Mass: 181.00945507
SMILES and InChIs

SMILES:
Fc1ccc2nc(Cl)ccc2c1
Canonical SMILES:
Fc1ccc2c(c1)ccc(n2)Cl
InChI:
InChI=1S/C9H5ClFN/c10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-5H
InChIKey:
USAYWGMYCNWTGO-UHFFFAOYSA-N

Cite this record

CBID:294252 http://www.chembase.cn/molecule-294252.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-6-fluoroquinoline
IUPAC Traditional name
2-chloro-6-fluoroquinoline
Synonyms
2-Chloro-6-fluoroquinoline
CAS Number
77119-53-0
MDL Number
MFCD08236768
PubChem SID
180679783
PubChem CID
15059433

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15059433 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0978236  LogD (pH = 7.4) 3.0978243 
Log P 3.0978243  Molar Refractivity 46.0618 cm3
Polarizability 18.515024 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
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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