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26578-79-0 | Pyrimidine, 2-[(4-methoxyphenyl)sulfonyl]-
CAS No: 26578-79-0 Catalog No: AG002TQV MDL No:
Product Description
Catalog Number:
AG002TQV
Chemical Name:
Pyrimidine, 2-[(4-methoxyphenyl)sulfonyl]-
CAS Number:
26578-79-0
Molecular Formula:
C11H10N2O3S
Molecular Weight:
250.2737
IUPAC Name:
2-(4-methoxyphenyl)sulfonylpyrimidine
InChI:
InChI=1S/C11H10N2O3S/c1-16-9-3-5-10(6-4-9)17(14,15)11-12-7-2-8-13-11/h2-8H,1H3
InChI Key:
PBUQMXQHTVIMGT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)c1ncccn1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.041g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.272g/mol
Monoisotopic Mass:
250.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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