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1628483-47-5 | (S)-tert-Butyl 2-methyl-4-[[(trifluoromethyl)sulfonyl]oxy]-5,6-dihydropyridine-1(2H)-carboxylate
CAS No: 1628483-47-5 Catalog No: AG003ATU MDL No:
Product Description
Catalog Number:
AG003ATU
Chemical Name:
(S)-tert-Butyl 2-methyl-4-[[(trifluoromethyl)sulfonyl]oxy]-5,6-dihydropyridine-1(2H)-carboxylate
CAS Number:
1628483-47-5
Molecular Formula:
C12H18F3NO5S
Molecular Weight:
345.3352
IUPAC Name:
tert-butyl 6-methyl-4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C12H18F3NO5S/c1-8-7-9(21-22(18,19)12(13,14)15)5-6-16(8)10(17)20-11(2,3)4/h7-8H,5-6H2,1-4H3
InChI Key:
UAAWMAOUVZMVKN-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=C[C@@H]1C)OS(=O)(=O)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.086g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.333g/mol
Monoisotopic Mass:
345.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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