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78826-13-8 | Azetidine, 2-phenyl-1-(phenylsulfonyl)-
CAS No: 78826-13-8 Catalog No: AG005DFO MDL No:
Product Description
Catalog Number:
AG005DFO
Chemical Name:
Azetidine, 2-phenyl-1-(phenylsulfonyl)-
CAS Number:
78826-13-8
Molecular Formula:
C15H15NO2S
Molecular Weight:
273.3501
IUPAC Name:
1-(benzenesulfonyl)-2-phenylazetidine
InChI:
InChI=1S/C15H15NO2S/c17-19(18,14-9-5-2-6-10-14)16-12-11-15(16)13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChI Key:
CYNSTNZCAPLJOW-UHFFFAOYSA-N
SMILES:
O=S(=O)(N1CCC1c1ccccc1)c1ccccc1
NSC Number:
625705
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.35g/mol
Monoisotopic Mass:
273.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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