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1346707-11-6 molecular structure
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4-chloro-2-[(4-chlorophenyl)methoxy]pyridine

ChemBase ID: 796692
Molecular Formular: C12H9Cl2NO
Molecular Mass: 254.11196
Monoisotopic Mass: 253.00611927
SMILES and InChIs

SMILES:
n1c(cc(cc1)Cl)OCc1ccc(cc1)Cl
Canonical SMILES:
Clc1ccc(cc1)COc1nccc(c1)Cl
InChI:
InChI=1S/C12H9Cl2NO/c13-10-3-1-9(2-4-10)8-16-12-7-11(14)5-6-15-12/h1-7H,8H2
InChIKey:
XLQJELKJQHTXAC-UHFFFAOYSA-N

Cite this record

CBID:796692 http://www.chembase.cn/molecule-796692.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-[(4-chlorophenyl)methoxy]pyridine
IUPAC Traditional name
4-chloro-2-[(4-chlorophenyl)methoxy]pyridine
Synonyms
4-Chloro-2-((4-chlorobenzyl)oxy)pyridine
CAS Number
1346707-11-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O3949 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O3949 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.1248374  LogD (pH = 7.4) 4.124921 
Log P 4.1249223  Molar Refractivity 64.9 cm3
Polarizability 25.293915 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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