2-Chloro-4-methylquinoline-3-carbonitrile - CAS 101617-94-1
Catalog: |
BB000569 |
Product Name: |
2-Chloro-4-methylquinoline-3-carbonitrile |
CAS: |
101617-94-1 |
Synonyms: |
2-chloro-4-methyl-3-quinolinecarbonitrile; 2-chloro-4-methylquinoline-3-carbonitrile |
IUPAC Name: | 2-chloro-4-methylquinoline-3-carbonitrile |
Description: | 2-Chloro-4-methylquinoline-3-carbonitrile (CAS# 101617-94-1) is a useful research chemical. |
Molecular Weight: | 202.64 |
Molecular Formula: | C11H7ClN2 |
Canonical SMILES: | CC1=C(C(=NC2=CC=CC=C12)Cl)C#N |
InChI: | InChI=1S/C11H7ClN2/c1-7-8-4-2-3-5-10(8)14-11(12)9(7)6-13/h2-5H,1H3 |
InChI Key: | UTBTZPFJZNOSLP-UHFFFAOYSA-N |
Boiling Point: | 380.7 °C at 760 mmHg |
Density: | 1.31 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD00833327 |
LogP: | 3.06828 |
Publication Number | Title | Priority Date |
WO-2020160134-A1 | Acetamido derivatives as dna polymerase theta inhibitors | 20190130 |
EP-3548486-A1 | Materials for organic electroluminescent devices | 20161205 |
KR-20190089059-A | Materials for organic electroluminescent devices | 20161205 |
US-2020199138-A1 | Materials for organic electroluminescent devices | 20161205 |
WO-2018104194-A1 | Materials for organic electroluminescent devices | 20161205 |
PMID | Publication Date | Title | Journal |
18275038 | 20080401 | Selenium-containing heterocycles: synthesis and pharmacological activities of some new 4-methylquinoline-2(1H) selenone derivatives | Archiv der Pharmazie |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0297759 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0297759 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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