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1346707-01-4 molecular structure
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4-chloro-2-(cyclohexyloxy)pyridine

ChemBase ID: 796923
Molecular Formular: C11H14ClNO
Molecular Mass: 211.68796
Monoisotopic Mass: 211.07639175
SMILES and InChIs

SMILES:
n1c(cc(cc1)Cl)OC1CCCCC1
Canonical SMILES:
Clc1ccnc(c1)OC1CCCCC1
InChI:
InChI=1S/C11H14ClNO/c12-9-6-7-13-11(8-9)14-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKey:
BJCKGNMPEUQZCM-UHFFFAOYSA-N

Cite this record

CBID:796923 http://www.chembase.cn/molecule-796923.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-(cyclohexyloxy)pyridine
IUPAC Traditional name
4-chloro-2-(cyclohexyloxy)pyridine
Synonyms
4-Chloro-2-(cyclohexyloxy)pyridine
CAS Number
1346707-01-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4967 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O4967 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) 3.5955873  LogD (pH = 7.4) 3.5956738 
Log P 3.5956748  Molar Refractivity 56.4968 cm3
Polarizability 22.306515 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

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