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1201675-01-5 molecular structure
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2,6-dichloro-4-(difluoromethyl)pyridine

ChemBase ID: 66182
Molecular Formular: C6H3Cl2F2N
Molecular Mass: 197.9975264
Monoisotopic Mass: 196.9610609
SMILES and InChIs

SMILES:
c1(cc(cc(n1)Cl)C(F)F)Cl
Canonical SMILES:
FC(c1cc(Cl)nc(c1)Cl)F
InChI:
InChI=1S/C6H3Cl2F2N/c7-4-1-3(6(9)10)2-5(8)11-4/h1-2,6H
InChIKey:
DSNKYXKLEBONAK-UHFFFAOYSA-N

Cite this record

CBID:66182 http://www.chembase.cn/molecule-66182.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichloro-4-(difluoromethyl)pyridine
IUPAC Traditional name
2,6-dichloro-4-(difluoromethyl)pyridine
Synonyms
2,6-Dichloro-4-(difluoromethyl)pyridine
CAS Number
1201675-01-5
MDL Number
MFCD16658727
PubChem SID
162031921
PubChem CID
58229649

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 58229649 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7931051  LogD (pH = 7.4) 2.7931051 
Log P 2.7931051  Molar Refractivity 40.7173 cm3
Polarizability 14.893456 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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