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89069-23-8 | 4(3H)-Pyrimidinone, 3-(3-chlorophenyl)-2-(methylthio)-
CAS No: 89069-23-8 Catalog No: AG0040RU MDL No:
Product Description
Catalog Number:
AG0040RU
Chemical Name:
4(3H)-Pyrimidinone, 3-(3-chlorophenyl)-2-(methylthio)-
CAS Number:
89069-23-8
Molecular Formula:
C11H9ClN2OS
Molecular Weight:
252.7200
IUPAC Name:
3-(3-chlorophenyl)-2-methylsulfanylpyrimidin-4-one
InChI:
InChI=1S/C11H9ClN2OS/c1-16-11-13-6-5-10(15)14(11)9-4-2-3-8(12)7-9/h2-7H,1H3
InChI Key:
DCPLKEWODDJJLO-UHFFFAOYSA-N
SMILES:
CSc1nccc(=O)n1c1cccc(c1)Cl
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.716g/mol
Monoisotopic Mass:
252.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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