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18704-37-5 | Quinoline-8-sulfonyl chloride
CAS No: 18704-37-5 Catalog No: AG007S5M MDL No:MFCD00006808
Product Description
Catalog Number:
AG007S5M
Chemical Name:
Quinoline-8-sulfonyl chloride
CAS Number:
18704-37-5
Molecular Formula:
C9H6ClNO2S
Molecular Weight:
227.6674
MDL Number:
MFCD00006808
IUPAC Name:
quinoline-8-sulfonyl chloride
InChI:
InChI=1S/C9H6ClNO2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChI Key:
JUYUYCIJACTHMK-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1cccc2c1nccc2
EC Number:
242-515-5
UNII:
5ZIK3TJS9M
NSC Number:
91506
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.981g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.662g/mol
Monoisotopic Mass:
226.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| QSAR study on carbonic anhydrase inhibitors: aromatic/heterocyclic sulfonamides containing 8-quinoline-sulfonyl moieties, with topical activity as antiglaucoma agents. | European journal of medicinal chemistry 20040701 |
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