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58768-67-5 | 1-Methyl-1H-imidazole-4-sulfonyl-morpholine
CAS No: 58768-67-5 Catalog No: AG01EWJU MDL No:MFCD12922655
Product Description
Catalog Number:
AG01EWJU
Chemical Name:
1-Methyl-1H-imidazole-4-sulfonyl-morpholine
CAS Number:
58768-67-5
Molecular Formula:
C8H13N3O3S
Molecular Weight:
231.2721
MDL Number:
MFCD12922655
IUPAC Name:
4-(1-methylimidazol-4-yl)sulfonylmorpholine
InChI:
InChI=1S/C8H13N3O3S/c1-10-6-8(9-7-10)15(12,13)11-2-4-14-5-3-11/h6-7H,2-5H2,1H3
InChI Key:
RQHLJQQFYMFTLG-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1)S(=O)(=O)N1CCOCC1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.27g/mol
Monoisotopic Mass:
231.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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