8-Quinolinyl trifluoromethanesulfonate - CAS 108530-08-1
Catalog: |
BB002281 |
Product Name: |
8-Quinolinyl trifluoromethanesulfonate |
CAS: |
108530-08-1 |
Synonyms: |
quinolin-8-yl trifluoromethanesulfonate |
IUPAC Name: | quinolin-8-yl trifluoromethanesulfonate |
Description: | 8-Quinolinyl trifluoromethanesulfonate (CAS# 108530-08-1 ) is a useful research chemical. |
Molecular Weight: | 277.22 |
Molecular Formula: | C10H6F3NO3S |
Canonical SMILES: | C1=CC2=C(C(=C1)OS(=O)(=O)C(F)(F)F)N=CC=C2 |
InChI: | InChI=1S/C10H6F3NO3S/c11-10(12,13)18(15,16)17-8-5-1-3-7-4-2-6-14-9(7)8/h1-6H |
InChI Key: | YUWOECMFUBVGSE-UHFFFAOYSA-N |
Melting Point: | 65-68 °C(lit.) |
Purity: | 95 % |
MDL: | MFCD00274222 |
LogP: | 3.54400 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020063727-A1 | Tricyclic ring ask1 inhibitors and use thereof | 20180930 |
CN-103068803-A | Imidazo[4,5-c]quinolines as DNA-PK inhibitors | 20100828 |
CN-103068803-B | As imidazo [4, the 5-c] quinolines of DNA-PK inhibitor | 20100828 |
US-2013109713-A1 | Antimicrobial agents | 20100625 |
US-9102617-B2 | Antimicrobial agents | 20100625 |
Complexity: | 390 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.00204871 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.00204871 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Related Functional Groups
Quinoline/Isoquinoline
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