3-Chloro-5-methylbenzonitrile - CAS 189161-09-9
Catalog: |
BB014598 |
Product Name: |
3-Chloro-5-methylbenzonitrile |
CAS: |
189161-09-9 |
Synonyms: |
3-chloro-5-methylbenzonitrile; 3-chloro-5-methylbenzonitrile |
IUPAC Name: | 3-chloro-5-methylbenzonitrile |
Description: | 3-Chloro-5-methylbenzonitrile (CAS# 189161-09-9) is a useful research chemical. |
Molecular Weight: | 151.59 |
Molecular Formula: | C8H6ClN |
Canonical SMILES: | CC1=CC(=CC(=C1)C#N)Cl |
InChI: | InChI=1S/C8H6ClN/c1-6-2-7(5-10)4-8(9)3-6/h2-4H,1H3 |
InChI Key: | VQMCGWDQAVDACL-UHFFFAOYSA-N |
LogP: | 2.52008 |
Publication Number | Title | Priority Date |
WO-2021108198-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20191126 |
WO-2021028570-A1 | 2-hydroxycycloalkane-1-carbamoyl derivatives | 20190815 |
US-2020385398-A1 | New bicyclic derivatives | 20190607 |
WO-2020234103-A1 | Identification and use of kras inhibitors | 20190521 |
WO-2020198026-A1 | Compounds and uses thereof | 20190322 |
PMID | Publication Date | Title | Journal |
20677758 | 20100825 | Cyanation of arenes via iridium-catalyzed borylation | Journal of the American Chemical Society |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.0188769 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.0188769 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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