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Home > Fluorides > 113515-41-6
113515-41-6 | 2-Pyrimidinesulfonyl fluoride, 4,6-dimethoxy-
CAS No: 113515-41-6 Catalog No: AG0008VA MDL No:MFCD18816688
Product Description
Catalog Number:
AG0008VA
Chemical Name:
2-Pyrimidinesulfonyl fluoride, 4,6-dimethoxy-
CAS Number:
113515-41-6
Molecular Formula:
C6H7FN2O4S
Molecular Weight:
222.1942
MDL Number:
MFCD18816688
IUPAC Name:
4,6-dimethoxypyrimidine-2-sulfonyl fluoride
InChI:
InChI=1S/C6H7FN2O4S/c1-12-4-3-5(13-2)9-6(8-4)14(7,10)11/h3H,1-2H3
InChI Key:
RAQCUCIALLQPPS-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)S(=O)(=O)F
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.011g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.19g/mol
Monoisotopic Mass:
222.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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