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110035-99-9 | Quinoline, 2-[(phenylsulfonyl)methyl]-, 1-oxide
CAS No: 110035-99-9 Catalog No: AG007VY9 MDL No:
Product Description
Catalog Number:
AG007VY9
Chemical Name:
Quinoline, 2-[(phenylsulfonyl)methyl]-, 1-oxide
CAS Number:
110035-99-9
Molecular Formula:
C16H13NO3S
Molecular Weight:
299.3443
IUPAC Name:
2-(benzenesulfonylmethyl)-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C16H13NO3S/c18-17-14(11-10-13-6-4-5-9-16(13)17)12-21(19,20)15-7-2-1-3-8-15/h1-11H,12H2
InChI Key:
JZJFUPGESAHNNH-UHFFFAOYSA-N
SMILES:
[O-][n+]1c(ccc2c1cccc2)CS(=O)(=O)c1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.344g/mol
Monoisotopic Mass:
299.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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