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116022-39-0 | Pyrimidine, 4,6-dimethoxy-2-[(phenylmethyl)sulfonyl]-
CAS No: 116022-39-0 Catalog No: AG000BEP MDL No:
Product Description
Catalog Number:
AG000BEP
Chemical Name:
Pyrimidine, 4,6-dimethoxy-2-[(phenylmethyl)sulfonyl]-
CAS Number:
116022-39-0
Molecular Formula:
C13H14N2O4S
Molecular Weight:
294.3263
IUPAC Name:
2-benzylsulfonyl-4,6-dimethoxypyrimidine
InChI:
InChI=1S/C13H14N2O4S/c1-18-11-8-12(19-2)15-13(14-11)20(16,17)9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChI Key:
UUMMSITYYOCQCI-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)S(=O)(=O)Cc1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.325g/mol
Monoisotopic Mass:
294.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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