200,000+ products from a single source!
sales@angenechem.com
14694-58-7 | Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide
CAS No: 14694-58-7 Catalog No: AG001EG4 MDL No:
Product Description
Catalog Number:
AG001EG4
Chemical Name:
Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide
CAS Number:
14694-58-7
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
IUPAC Name:
2-benzylsulfonyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C12H11NO3S/c14-13-9-5-4-8-12(13)17(15,16)10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
PSMJATBJEWJPHE-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccccc1S(=O)(=O)Cc1ccccc1
Properties
Complexity:
330
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:
3
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.