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1214374-09-0 molecular structure
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3-chloro-2-(difluoromethoxy)pyridine

ChemBase ID: 797112
Molecular Formular: C6H4ClF2NO
Molecular Mass: 179.5518664
Monoisotopic Mass: 178.99494787
SMILES and InChIs

SMILES:
n1c(c(ccc1)Cl)OC(F)F
Canonical SMILES:
FC(Oc1ncccc1Cl)F
InChI:
InChI=1S/C6H4ClF2NO/c7-4-2-1-3-10-5(4)11-6(8)9/h1-3,6H
InChIKey:
WYGSVBFZOHJLEB-UHFFFAOYSA-N

Cite this record

CBID:797112 http://www.chembase.cn/molecule-797112.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-2-(difluoromethoxy)pyridine
IUPAC Traditional name
3-chloro-2-(difluoromethoxy)pyridine
Synonyms
3-Chloro-2-(difluoroMethoxy)pyridine
CAS Number
1214374-09-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O5822 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O5822 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) 2.7231572  LogD (pH = 7.4) 2.7231624 
Log P 2.7231627  Molar Refractivity 35.4915 cm3
Polarizability 13.607054 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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