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127234-88-9 molecular structure
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4-ethyl-5-fluoropyrimidine

ChemBase ID: 63570
Molecular Formular: C6H7FN2
Molecular Mass: 126.1315832
Monoisotopic Mass: 126.05932645
SMILES and InChIs

SMILES:
c1(c(ncnc1)CC)F
Canonical SMILES:
CCc1ncncc1F
InChI:
InChI=1S/C6H7FN2/c1-2-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3
InChIKey:
AYZDRTRWCASUFO-UHFFFAOYSA-N

Cite this record

CBID:63570 http://www.chembase.cn/molecule-63570.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethyl-5-fluoropyrimidine
IUPAC Traditional name
4-ethyl-5-fluoropyrimidine
Synonyms
4-Ethyl-5-fluoropyrimidine
CAS Number
127234-88-9
137234-88-9
MDL Number
MFCD06657566
PubChem SID
162029309
PubChem CID
19074919

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 19074919 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.024331  LogD (pH = 7.4) 1.0243433 
Log P 1.0243434  Molar Refractivity 32.1571 cm3
Polarizability 11.855529 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
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
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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