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1060809-39-3 molecular structure
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2-(chloromethyl)-4-fluoropyridine

ChemBase ID: 815160
Molecular Formular: C6H5ClFN
Molecular Mass: 145.5620032
Monoisotopic Mass: 145.00945507
SMILES and InChIs

SMILES:
n1c(cc(cc1)F)CCl
Canonical SMILES:
Fc1cc(CCl)ncc1
InChI:
InChI=1S/C6H5ClFN/c7-4-6-3-5(8)1-2-9-6/h1-3H,4H2
InChIKey:
FFEPTXWHGIRHKJ-UHFFFAOYSA-N

Cite this record

CBID:815160 http://www.chembase.cn/molecule-815160.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(chloromethyl)-4-fluoropyridine
IUPAC Traditional name
2-(chloromethyl)-4-fluoropyridine
Synonyms
2-(chloromethyl)-4-fluoropyridine
CAS Number
1060809-39-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37422 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37422 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) 1.5594997  LogD (pH = 7.4) 1.5668942 
Log P 1.5669893  Molar Refractivity 33.4622 cm3
Polarizability 12.837012 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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