8-Quinolinesulfonyl chloride - CAS 18704-37-5
Catalog: |
BB014388 |
Product Name: |
8-Quinolinesulfonyl chloride |
CAS: |
18704-37-5 |
Synonyms: |
quinoline-8-sulfonyl chloride |
IUPAC Name: | quinoline-8-sulfonyl chloride |
Description: | 8-Quinolinesulfonyl chloride (CAS# 18704-37-5) is a useful research chemical. |
Molecular Weight: | 227.67 |
Molecular Formula: | C9H6ClNO2S |
Canonical SMILES: | C1=CC2=C(C(=C1)S(=O)(=O)Cl)N=CC=C2 |
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 |
Boiling Point: | 355.9 °C at 760 mmHg |
Density: | 1.483 g/cm3 |
MDL: | MFCD00006808 |
LogP: | 3.24310 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
15236839 | 20040701 | 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 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.9807773 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.9807773 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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Quinoline/Isoquinoline
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