6-Quinolinyl trifluoromethanesulfonate - CAS 173089-80-0
Catalog: |
BB012883 |
Product Name: |
6-Quinolinyl trifluoromethanesulfonate |
CAS: |
173089-80-0 |
Synonyms: |
quinolin-6-yl trifluoromethanesulfonate |
IUPAC Name: | quinolin-6-yl trifluoromethanesulfonate |
Description: | 6-Quinolinyl trifluoromethanesulfonate (CAS# 173089-80-0 ) is a useful research chemical. |
Molecular Weight: | 277.22 |
Molecular Formula: | C10H6F3NO3S |
Canonical SMILES: | C1=CC2=C(C=CC(=C2)OS(=O)(=O)C(F)(F)F)N=C1 |
InChI: | InChI=1S/C10H6F3NO3S/c11-10(12,13)18(15,16)17-8-3-4-9-7(6-8)2-1-5-14-9/h1-6H |
InChI Key: | TVYXNKUMLWUQPV-UHFFFAOYSA-N |
Boiling Point: | 354.743 °C at 760 mmHg |
Density: | 1.556 g/cm3 |
MDL: | MFCD05865187 |
LogP: | 3.54400 |
GHS Hazard Statement: | H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021275518-A1 | Methods of using rebastinib in the treatment of disorders | 20200306 |
WO-2021178789-A1 | Methods of using rebastinib in the treatment of different cancerous disorders | 20200306 |
WO-2021074279-A1 | Spiro-fused tricyclic map4k1 inhibitors | 20191016 |
WO-2021013712-A1 | Polyaromatic urea derivatives and their use in the treatment of muscle diseases | 20190719 |
WO-2020123453-A2 | Alk5 inhibitors | 20181211 |
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: | 3 |
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Related Functional Groups
Quinoline/Isoquinoline
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