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89069-21-6 | 4(3H)-Pyrimidinone, 3-(4-fluorophenyl)-2-(methylthio)-
CAS No: 89069-21-6 Catalog No: AG0041A8 MDL No:
Product Description
Catalog Number:
AG0041A8
Chemical Name:
4(3H)-Pyrimidinone, 3-(4-fluorophenyl)-2-(methylthio)-
CAS Number:
89069-21-6
Molecular Formula:
C11H9FN2OS
Molecular Weight:
236.2654
IUPAC Name:
3-(4-fluorophenyl)-2-methylsulfanylpyrimidin-4-one
InChI:
InChI=1S/C11H9FN2OS/c1-16-11-13-7-6-10(15)14(11)9-4-2-8(12)3-5-9/h2-7H,1H3
InChI Key:
BIVVOIYBLVQPBC-UHFFFAOYSA-N
SMILES:
CSc1nccc(=O)n1c1ccc(cc1)F
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.264g/mol
Monoisotopic Mass:
236.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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