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Home > Other Heterocycles > 188624-92-2
188624-92-2 | 7-Azabicyclo[2.2.1]heptane, 7-[(4-methylphenyl)sulfonyl]-
CAS No: 188624-92-2 Catalog No: AG002H2I MDL No:MFCD30527653
Product Description
Catalog Number:
AG002H2I
Chemical Name:
7-Azabicyclo[2.2.1]heptane, 7-[(4-methylphenyl)sulfonyl]-
CAS Number:
188624-92-2
Molecular Formula:
C13H17NO2S
Molecular Weight:
251.3446
MDL Number:
MFCD30527653
IUPAC Name:
7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane
InChI:
InChI=1S/C13H17NO2S/c1-10-2-8-13(9-3-10)17(15,16)14-11-4-5-12(14)7-6-11/h2-3,8-9,11-12H,4-7H2,1H3
InChI Key:
ZDKWEHPFWCXDCU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1C2CCC1CC2
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.344g/mol
Monoisotopic Mass:
251.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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