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51422-01-6 molecular structure
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4-chloro-6-fluoropyrimidine

ChemBase ID: 64324
Molecular Formular: C4H2ClFN2
Molecular Mass: 132.5234832
Monoisotopic Mass: 131.98905397
SMILES and InChIs

SMILES:
n1cnc(cc1F)Cl
Canonical SMILES:
Fc1ncnc(c1)Cl
InChI:
InChI=1S/C4H2ClFN2/c5-3-1-4(6)8-2-7-3/h1-2H
InChIKey:
DLAFWIYXXOBITQ-UHFFFAOYSA-N

Cite this record

CBID:64324 http://www.chembase.cn/molecule-64324.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-fluoropyrimidine
IUPAC Traditional name
4-chloro-6-fluoropyrimidine
Synonyms
4-Chloro-6-fluoropyrimidine
CAS Number
51422-01-6
MDL Number
MFCD09870037
PubChem SID
162030063
PubChem CID
583328

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 583328 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4105898  LogD (pH = 7.4) 1.4105899 
Log P 1.4105899  Molar Refractivity 29.8195 cm3
Polarizability 10.348318 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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