2-[(4-Tetrahydropyranyl)oxy]benzonitrile - CAS 898289-37-7
Catalog: |
BB039618 |
Product Name: |
2-[(4-Tetrahydropyranyl)oxy]benzonitrile |
CAS: |
898289-37-7 |
Synonyms: |
2-(4-oxanyloxy)benzonitrile; 2-(oxan-4-yloxy)benzonitrile |
IUPAC Name: | 2-(oxan-4-yloxy)benzonitrile |
Description: | 2-[(4-Tetrahydropyranyl)oxy]benzonitrile (CAS# 898289-37-7 ) is a useful research chemical. |
Molecular Weight: | 203.24 |
Molecular Formula: | C12H13NO2 |
Canonical SMILES: | C1COCCC1OC2=CC=CC=C2C#N |
InChI: | InChI=1S/C12H13NO2/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11/h1-4,11H,5-8H2 |
InChI Key: | SXNKDLAJDADKEE-UHFFFAOYSA-N |
Boiling Point: | 363.2 ℃ at 760 mmHg |
Density: | 1.15 g/cm3 |
LogP: | 2.11608 |
Publication Number | Title | Priority Date |
AU-2018352699-A1 | Pyrimidine TBK/IKKE inhibitor compounds and uses thereof | 20171017 |
AU-2018352701-A1 | Pyrimidine ΤÎ'Κ/ΙΚΚE inhibitor compounds and uses thereof | 20171017 |
IL-273892-D0 | Pyrimidine compounds that inhibit tbk / ikke and pharmaceutical preparations that contain them | 20171017 |
WO-2019079373-A1 | PYRIMIDINE TBK / IKKε INHIBITORY COMPOUNDS AND USES THEREOF | 20171017 |
EP-3697772-A1 | Pyrimidine tbk/ikk inhibitor compounds and uses thereof | 20171017 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.094628657 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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