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14674-01-2 | 1H-Azepine, 1-(butylsulfonyl)hexahydro-
CAS No: 14674-01-2 Catalog No: AG001EAU MDL No:
Product Description
Catalog Number:
AG001EAU
Chemical Name:
1H-Azepine, 1-(butylsulfonyl)hexahydro-
CAS Number:
14674-01-2
Molecular Formula:
C10H21NO2S
Molecular Weight:
219.3442
IUPAC Name:
1-butylsulfonylazepane
InChI:
InChI=1S/C10H21NO2S/c1-2-3-10-14(12,13)11-8-6-4-5-7-9-11/h2-10H2,1H3
InChI Key:
OJTJIYMTGJBBSE-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)N1CCCCCC1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.129g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.343g/mol
Monoisotopic Mass:
219.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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