2-(4-Chlorophenyl)-4-pentyn-2-ol - CAS 84670-93-9
Catalog: |
BB037275 |
Product Name: |
2-(4-Chlorophenyl)-4-pentyn-2-ol |
CAS: |
84670-93-9 |
Synonyms: |
2-(4-chlorophenyl)-4-pentyn-2-ol; 2-(4-chlorophenyl)pent-4-yn-2-ol |
IUPAC Name: | 2-(4-chlorophenyl)pent-4-yn-2-ol |
Description: | 2-(4-Chlorophenyl)-4-pentyn-2-ol (CAS# 84670-93-9 ) is a useful research chemical. |
Molecular Weight: | 194.66 |
Molecular Formula: | C11H11ClO |
Canonical SMILES: | CC(CC#C)(C1=CC=C(C=C1)Cl)O |
InChI: | InChI=1S/C11H11ClO/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h1,4-7,13H,8H2,2H3 |
InChI Key: | QZVDGMCFHKNWNV-UHFFFAOYSA-N |
LogP: | 2.57080 |
Publication Number | Title | Priority Date |
US-2017197924-A1 | Novel 1,2,3 Triazole Antifungal Agents and Preparation Thereof | 20140620 |
US-9981923-B2 | 1,2,3 Triazole antifungal agents and preparation thereof | 20140620 |
WO-2015193915-A1 | Novel 1,2,3 triazole antifungal agents and preparation thereof | 20140620 |
US-2913408-A | Corrosion inhibitors for ferrous metals in aqueous solutions of non-oxidizing acids | 19561228 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0498427 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0498427 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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