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82636-14-4 | ETHYL 1-(4-FLUOROPHENYL)-2-METHYLSULFANYL-6-OXO-PYRIMIDINE-5-CARBOXYLATE
CAS No: 82636-14-4 Catalog No: AG005CE5 MDL No:
Product Description
Catalog Number:
AG005CE5
Chemical Name:
ETHYL 1-(4-FLUOROPHENYL)-2-METHYLSULFANYL-6-OXO-PYRIMIDINE-5-CARBOXYLATE
CAS Number:
82636-14-4
Molecular Formula:
C14H13FN2O3S
Molecular Weight:
308.3280
IUPAC Name:
ethyl 1-(4-fluorophenyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
InChI:
InChI=1S/C14H13FN2O3S/c1-3-20-13(19)11-8-16-14(21-2)17(12(11)18)10-6-4-9(15)5-7-10/h4-8H,3H2,1-2H3
InChI Key:
LXOJNBARICVPEF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(n(c1=O)c1ccc(cc1)F)SC
NSC Number:
321177
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.063g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.327g/mol
Monoisotopic Mass:
308.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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