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1105193-80-3,MFCD16631563
Catalog No.:AA01AQES
1105193-80-3 | 3-(4-FLUOROPHENYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLIC AC+
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Purity
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1g
95%+
2 weeks  
$1,038.00   $727.00
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Technical Information
Catalog Number:
AA01AQES
Chemical Name:
3-(4-FLUOROPHENYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLIC AC+
CAS Number:
1105193-80-3
Molecular Formula:
C11H7FN2O4
Molecular Weight:
250.1827
MDL Number:
MFCD16631563
IUPAC Name:
3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C11H7FN2O4/c12-6-1-3-7(4-2-6)14-9(15)8(10(16)17)5-13-11(14)18/h1-5H,(H,13,18)(H,16,17)
InChI Key:
JTZSVYCKAYMNCT-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1c(=O)[nH]cc(c1=O)C(=O)O
Properties
Computed Properties
 
Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.039g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
250.185g/mol
Monoisotopic Mass:
250.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
3-(4-fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid 
1105193-80-3 
3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid 
SCHEMBL14969067 
JTZSVYCKAYMNCT-UHFFFAOYSA-N 
ZINC26420338 
AKOS005207901 
MCULE-7436065636 
L-3882 
F1967-0266 
1-(4-fluorophenyl)-2,6-dioxo-3H-pyrimidine-5-carboxylic acid 
Literature
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