2-(2,4-Dichlorophenyl)-4-pentyn-2-ol - CAS 85014-27-3
Catalog: |
BB037407 |
Product Name: |
2-(2,4-Dichlorophenyl)-4-pentyn-2-ol |
CAS: |
85014-27-3 |
Synonyms: |
2-(2,4-dichlorophenyl)-4-pentyn-2-ol; 2-(2,4-dichlorophenyl)pent-4-yn-2-ol |
IUPAC Name: | 2-(2,4-dichlorophenyl)pent-4-yn-2-ol |
Description: | 2-(2,4-Dichlorophenyl)-4-pentyn-2-ol (CAS# 85014-27-3 ) is a useful research chemical. |
Molecular Weight: | 229.10 |
Molecular Formula: | C11H10Cl2O |
Canonical SMILES: | CC(CC#C)(C1=C(C=C(C=C1)Cl)Cl)O |
InChI: | InChI=1S/C11H10Cl2O/c1-3-6-11(2,14)9-5-4-8(12)7-10(9)13/h1,4-5,7,14H,6H2,2H3 |
InChI Key: | YHCXJRGJGXAAMS-UHFFFAOYSA-N |
LogP: | 3.22420 |
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 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.0108703 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.0108703 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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