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1060809-41-7 molecular structure
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3-(chloromethyl)-4-fluoropyridine

ChemBase ID: 815161
Molecular Formular: C6H5ClFN
Molecular Mass: 145.5620032
Monoisotopic Mass: 145.00945507
SMILES and InChIs

SMILES:
n1cc(c(cc1)F)CCl
Canonical SMILES:
ClCc1cnccc1F
InChI:
InChI=1S/C6H5ClFN/c7-3-5-4-9-2-1-6(5)8/h1-2,4H,3H2
InChIKey:
PSMWQFSAHIQJJY-UHFFFAOYSA-N

Cite this record

CBID:815161 http://www.chembase.cn/molecule-815161.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(chloromethyl)-4-fluoropyridine
IUPAC Traditional name
3-(chloromethyl)-4-fluoropyridine
Synonyms
3-(chloromethyl)-4-fluoropyridine
CAS Number
1060809-41-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37423 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37423 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) 1.4500779  LogD (pH = 7.4) 1.4850483 
Log P 1.4855174  Molar Refractivity 33.9844 cm3
Polarizability 12.835654 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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