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1352925-93-9 molecular structure
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methyl 2-(5-fluoropyrimidin-2-yl)acetate

ChemBase ID: 292391
Molecular Formular: C7H7FN2O2
Molecular Mass: 170.1410832
Monoisotopic Mass: 170.04915569
SMILES and InChIs

SMILES:
COC(=O)Cc1ncc(F)cn1
Canonical SMILES:
COC(=O)Cc1ncc(cn1)F
InChI:
InChI=1S/C7H7FN2O2/c1-12-7(11)2-6-9-3-5(8)4-10-6/h3-4H,2H2,1H3
InChIKey:
JODHCGJCZNBUGB-UHFFFAOYSA-N

Cite this record

CBID:292391 http://www.chembase.cn/molecule-292391.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-(5-fluoropyrimidin-2-yl)acetate
IUPAC Traditional name
methyl 2-(5-fluoropyrimidin-2-yl)acetate
Synonyms
Methyl 2-(5-fluoropyrimidin-2-yl)acetate
CAS Number
1352925-93-9
PubChem SID
180677922
PubChem CID
70701064

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241212 Please log in.
Data Source Data ID
PubChem 70701064 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.532402  H Acceptors
H Donor LogD (pH = 5.5) 0.62003565 
LogD (pH = 7.4) 0.6200358  Log P 0.6200358 
Molar Refractivity 38.6763 cm3 Polarizability 14.6647 Å3
Polar Surface Area 52.08 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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