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10352-30-4 molecular structure
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2,6-dichloro-4-phenylquinoline

ChemBase ID: 113100
Molecular Formular: C15H9Cl2N
Molecular Mass: 274.14466
Monoisotopic Mass: 273.01120465
SMILES and InChIs

SMILES:
c12c(cc(nc1ccc(c2)Cl)Cl)c1ccccc1
Canonical SMILES:
Clc1ccc2c(c1)c(cc(n2)Cl)c1ccccc1
InChI:
InChI=1S/C15H9Cl2N/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-9H
InChIKey:
FSVNVFMEUXPATP-UHFFFAOYSA-N

Cite this record

CBID:113100 http://www.chembase.cn/molecule-113100.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichloro-4-phenylquinoline
IUPAC Traditional name
2,6-dichloro-4-phenylquinoline
Synonyms
2,6-Dichloro-4-phenylquinoline
CAS Number
10352-30-4
MDL Number
MFCD00436567
PubChem SID
162097625
PubChem CID
4324619

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4324619 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.2063913  LogD (pH = 7.4) 5.2063923 
Log P 5.2063923  Molar Refractivity 75.7864 cm3
Polarizability 31.737703 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
5.729 expand Show data source
Hydrophobicity(logP)
5.449 expand Show data source
Purity
95% expand Show data source
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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