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4295-04-9 molecular structure
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4-chloro-6-methoxyquinoline

ChemBase ID: 58666
Molecular Formular: C10H8ClNO
Molecular Mass: 193.62962
Monoisotopic Mass: 193.02944156
SMILES and InChIs

SMILES:
c1(ccc2c(c1)c(ccn2)Cl)OC
Canonical SMILES:
COc1ccc2c(c1)c(Cl)ccn2
InChI:
InChI=1S/C10H8ClNO/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
InChIKey:
BEOVBLPXVFICSP-UHFFFAOYSA-N

Cite this record

CBID:58666 http://www.chembase.cn/molecule-58666.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-methoxyquinoline
IUPAC Traditional name
4-chloro-6-methoxyquinoline
Synonyms
4-Chloro-6-methoxyquinoline
CAS Number
4295-04-9
4295/4/9
MDL Number
MFCD00024007
PubChem SID
162063429
PubChem CID
228348

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5728948  LogD (pH = 7.4) 2.5772185 
Log P 2.5772738  Molar Refractivity 51.2473 cm3
Polarizability 21.33125 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Partition Coefficient
2.691 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
96% 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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