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Home > Other Heterocycles > 191467-22-8
191467-22-8 | 2-Azabicyclo[2.2.1]hept-5-en-3-one, 2-(phenylsulfonyl)-
CAS No: 191467-22-8 Catalog No: AG002F8O MDL No:
Product Description
Catalog Number:
AG002F8O
Chemical Name:
2-Azabicyclo[2.2.1]hept-5-en-3-one, 2-(phenylsulfonyl)-
CAS Number:
191467-22-8
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
IUPAC Name:
2-(benzenesulfonyl)-2-azabicyclo[2.2.1]hept-5-en-3-one
InChI:
InChI=1S/C12H11NO3S/c14-12-9-6-7-10(8-9)13(12)17(15,16)11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChI Key:
PMMBGOFPGSPVCJ-UHFFFAOYSA-N
SMILES:
O=C1C2C=CC(N1S(=O)(=O)c1ccccc1)C2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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