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825647-47-0 | Pyrimidine, 2,4-dichloro-6-[(4-methoxyphenyl)thio]-
CAS No: 825647-47-0 Catalog No: AG004Y3D MDL No:
Product Description
Catalog Number:
AG004Y3D
Chemical Name:
Pyrimidine, 2,4-dichloro-6-[(4-methoxyphenyl)thio]-
CAS Number:
825647-47-0
Molecular Formula:
C11H8Cl2N2OS
Molecular Weight:
287.1650
IUPAC Name:
2,4-dichloro-6-(4-methoxyphenyl)sulfanylpyrimidine
InChI:
InChI=1S/C11H8Cl2N2OS/c1-16-7-2-4-8(5-3-7)17-10-6-9(12)14-11(13)15-10/h2-6H,1H3
InChI Key:
IZPOTHUVIMXSPS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Sc1cc(Cl)nc(n1)Cl
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.973g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.158g/mol
Monoisotopic Mass:
285.973g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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