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87160-83-6 | 4H-1,4-Oxazocine, 4-(phenylsulfonyl)-
CAS No: 87160-83-6 Catalog No: AG004KE6 MDL No:
Product Description
Catalog Number:
AG004KE6
Chemical Name:
4H-1,4-Oxazocine, 4-(phenylsulfonyl)-
CAS Number:
87160-83-6
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
IUPAC Name:
4-(benzenesulfonyl)-1,4-oxazocine
InChI:
InChI=1S/C12H11NO3S/c14-17(15,12-6-2-1-3-7-12)13-8-4-5-10-16-11-9-13/h1-11H
InChI Key:
LQGKSKQKPROYCY-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)n1ccccocc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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