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42260-39-9 molecular structure
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2-chloro-4-phenylpyridine

ChemBase ID: 294248
Molecular Formular: C11H8ClN
Molecular Mass: 189.64092
Monoisotopic Mass: 189.03452694
SMILES and InChIs

SMILES:
Clc1nccc(c2ccccc2)c1
Canonical SMILES:
Clc1nccc(c1)c1ccccc1
InChI:
InChI=1S/C11H8ClN/c12-11-8-10(6-7-13-11)9-4-2-1-3-5-9/h1-8H
InChIKey:
MROTUXXYBNRZSG-UHFFFAOYSA-N

Cite this record

CBID:294248 http://www.chembase.cn/molecule-294248.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4-phenylpyridine
IUPAC Traditional name
2-chloro-4-phenylpyridine
Synonyms
2-Chloro-4-phenylpyridine
CAS Number
42260-39-9
PubChem SID
180679779
PubChem CID
2762842

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2762842 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2270002  LogD (pH = 7.4) 3.2270203 
Log P 3.2270205  Molar Refractivity 54.9034 cm3
Polarizability 22.350082 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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