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1204297-90-4,MFCD16652767
Catalog No.:AA01AQI6
1204297-90-4 | 3-(4-Fluorophenyl)pyrimidine-2,4(1H,3H)-dione
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Technical Information
Catalog Number:
AA01AQI6
Chemical Name:
3-(4-Fluorophenyl)pyrimidine-2,4(1H,3H)-dione
CAS Number:
1204297-90-4
Molecular Formula:
C10H7FN2O2
Molecular Weight:
206.1732
MDL Number:
MFCD16652767
IUPAC Name:
3-(4-fluorophenyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C10H7FN2O2/c11-7-1-3-8(4-2-7)13-9(14)5-6-12-10(13)15/h1-6H,(H,12,15)
InChI Key:
BMFGMMFYIDDQBZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1c(=O)cc[nH]c1=O
Properties
Computed Properties
 
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.049g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.176g/mol
Monoisotopic Mass:
206.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
3-(4-fluorophenyl)pyrimidine-2,4(1H,3H)-dione 
1204297-90-4 
3-(4-fluorophenyl)-1H-pyrimidine-2,4-dione 
ZINC38478061 
AKOS015956102 
MCULE-1974190077 
F1967-0645 
3-(4-fluorophenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione 
L-3373 
Literature
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