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122328-28-3 | 2H-Azonin-2-one, octahydro-1-(phenylsulfonyl)-
CAS No: 122328-28-3 Catalog No: AG00173M MDL No:
Product Description
Catalog Number:
AG00173M
Chemical Name:
2H-Azonin-2-one, octahydro-1-(phenylsulfonyl)-
CAS Number:
122328-28-3
Molecular Formula:
C14H19NO3S
Molecular Weight:
281.3706
IUPAC Name:
1-(benzenesulfonyl)azonan-2-one
InChI:
InChI=1S/C14H19NO3S/c16-14-11-7-2-1-3-8-12-15(14)19(17,18)13-9-5-4-6-10-13/h4-6,9-10H,1-3,7-8,11-12H2
InChI Key:
RKOTYCUPEWXXIC-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCN1S(=O)(=O)c1ccccc1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.37g/mol
Monoisotopic Mass:
281.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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