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20885-12-5 molecular structure
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2-chloro-6-fluoropyridine

ChemBase ID: 18099
Molecular Formular: C5H3ClFN
Molecular Mass: 131.5354232
Monoisotopic Mass: 130.993805
SMILES and InChIs

SMILES:
c1(cccc(n1)F)Cl
Canonical SMILES:
Fc1cccc(n1)Cl
InChI:
InChI=1S/C5H3ClFN/c6-4-2-1-3-5(7)8-4/h1-3H
InChIKey:
LXOHKRGLGLETIJ-UHFFFAOYSA-N

Cite this record

CBID:18099 http://www.chembase.cn/molecule-18099.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-6-fluoropyridine
IUPAC Traditional name
2-chloro-6-fluoropyridine
Synonyms
2-Chloro-6-fluoropyridine
CAS Number
20885-12-5
MDL Number
MFCD00077483
PubChem SID
160981406
PubChem CID
639437

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 2.116428  Log P 2.116428 
Molar Refractivity 30.9983 cm3 Polarizability 11.134712 Å3
Polar Surface Area 12.89 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 2.116428 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
34-36°C expand Show data source
Storage Warning
IRRITANT expand Show data source
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
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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