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89069-39-6 | 4(3H)-Pyrimidinone, 3-(2,6-dichlorophenyl)-6-methyl-2-(methylthio)-
CAS No: 89069-39-6 Catalog No: AG0041A4 MDL No:
Product Description
Catalog Number:
AG0041A4
Chemical Name:
4(3H)-Pyrimidinone, 3-(2,6-dichlorophenyl)-6-methyl-2-(methylthio)-
CAS Number:
89069-39-6
Molecular Formula:
C12H10Cl2N2OS
Molecular Weight:
301.1916
IUPAC Name:
3-(2,6-dichlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-one
InChI:
InChI=1S/C12H10Cl2N2OS/c1-7-6-10(17)16(12(15-7)18-2)11-8(13)4-3-5-9(11)14/h3-6H,1-2H3
InChI Key:
FLMYFASJAXBEMO-UHFFFAOYSA-N
SMILES:
CSc1nc(C)cc(=O)n1c1c(Cl)cccc1Cl
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.989g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.185g/mol
Monoisotopic Mass:
299.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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