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159585-13-4 | Pyrimidine, 4-chloro-6-(3-methoxyphenyl)-2-(methylthio)-
CAS No: 159585-13-4 Catalog No: AG001R6K MDL No:
Product Description
Catalog Number:
AG001R6K
Chemical Name:
Pyrimidine, 4-chloro-6-(3-methoxyphenyl)-2-(methylthio)-
CAS Number:
159585-13-4
Molecular Formula:
C12H11ClN2OS
Molecular Weight:
266.7465
IUPAC Name:
4-chloro-6-(3-methoxyphenyl)-2-methylsulfanylpyrimidine
InChI:
InChI=1S/C12H11ClN2OS/c1-16-9-5-3-4-8(6-9)10-7-11(13)15-12(14-10)17-2/h3-7H,1-2H3
InChI Key:
IRKBUAKIWSJZED-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1cc(Cl)nc(n1)SC
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.743g/mol
Monoisotopic Mass:
266.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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