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1289385-30-3 | Pyrimidine, 4-chloro-6-methoxy-2-(methylsulfinyl)-
CAS No: 1289385-30-3 Catalog No: AG000YKO MDL No:MFCD18837179
Product Description
Catalog Number:
AG000YKO
Chemical Name:
Pyrimidine, 4-chloro-6-methoxy-2-(methylsulfinyl)-
CAS Number:
1289385-30-3
Molecular Formula:
C6H7ClN2O2S
Molecular Weight:
206.6500
MDL Number:
MFCD18837179
IUPAC Name:
4-chloro-6-methoxy-2-methylsulfinylpyrimidine
InChI:
InChI=1S/C6H7ClN2O2S/c1-11-5-3-4(7)8-6(9-5)12(2)10/h3H,1-2H3
InChI Key:
XVHGAYFHSUGKFZ-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)nc(n1)S(=O)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.644g/mol
Monoisotopic Mass:
205.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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