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Home > Other Heterocycles > 1788044-07-4
1788044-07-4 | 5-Tosyl-2-oxa-5-azabicyclo[2.2.2]octane
CAS No: 1788044-07-4 Catalog No: AG00IKMU MDL No:
Product Description
Catalog Number:
AG00IKMU
Chemical Name:
5-Tosyl-2-oxa-5-azabicyclo[2.2.2]octane
CAS Number:
1788044-07-4
Molecular Formula:
C13H17NO3S
Molecular Weight:
267.3440
IUPAC Name:
5-(4-methylphenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.2]octane
InChI:
InChI=1S/C13H17NO3S/c1-10-2-6-13(7-3-10)18(15,16)14-8-12-5-4-11(14)9-17-12/h2-3,6-7,11-12H,4-5,8-9H2,1H3
InChI Key:
ZAKDOJVLLNMQLZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CC2CCC1CO2
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.343g/mol
Monoisotopic Mass:
267.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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