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Home > Other Heterocycles > 1706453-23-7
1706453-23-7 | (1R,5R)-9-Tosyl-9-azabicyclo[3.3.1]nona-2,6-diene
CAS No: 1706453-23-7 Catalog No: AG00HZFL MDL No:MFCD26403985
Product Description
Catalog Number:
AG00HZFL
Chemical Name:
(1R,5R)-9-Tosyl-9-azabicyclo[3.3.1]nona-2,6-diene
CAS Number:
1706453-23-7
Molecular Formula:
C15H17NO2S
Molecular Weight:
275.3660
MDL Number:
MFCD26403985
IUPAC Name:
(1R,5S)-9-(4-methylphenyl)sulfonyl-9-azabicyclo[3.3.1]nona-2,6-diene
InChI:
InChI=1S/C15H17NO2S/c1-12-8-10-15(11-9-12)19(17,18)16-13-4-2-5-14(16)7-3-6-13/h2-4,7-11,13-14H,5-6H2,1H3/t13-,14-
InChI Key:
KJGDBZDLANAJKW-HDJSIYSDSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2CC=C[C@H]1CC=C2
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
275.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.366g/mol
Monoisotopic Mass:
275.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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