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Home > Other Heterocycles > 68820-12-2
68820-12-2 | 7-Azabicyclo[4.1.0]heptane, 7-[(4-methylphenyl)sulfonyl]-
CAS No: 68820-12-2 Catalog No: AG005NZ9 MDL No:
Product Description
Catalog Number:
AG005NZ9
Chemical Name:
7-Azabicyclo[4.1.0]heptane, 7-[(4-methylphenyl)sulfonyl]-
CAS Number:
68820-12-2
Molecular Formula:
C13H17NO2S
Molecular Weight:
251.3446
IUPAC Name:
7-(4-methylphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
InChI:
InChI=1S/C13H17NO2S/c1-10-6-8-11(9-7-10)17(15,16)14-12-4-2-3-5-13(12)14/h6-9,12-13H,2-5H2,1H3
InChI Key:
NIVBPVMTZHYBFT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1C2C1CCCC2
Properties
Complexity:
367
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:
45.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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