1-(3,4-Dichlorophenyl)-2-propyn-1-ol - CAS 29805-14-9
Catalog: |
BB020330 |
Product Name: |
1-(3,4-Dichlorophenyl)-2-propyn-1-ol |
CAS: |
29805-14-9 |
Synonyms: |
1-(3,4-dichlorophenyl)-2-propyn-1-ol; 1-(3,4-dichlorophenyl)prop-2-yn-1-ol |
IUPAC Name: | 1-(3,4-dichlorophenyl)prop-2-yn-1-ol |
Description: | 1-(3,4-Dichlorophenyl)-2-propyn-1-ol (CAS# 29805-14-9 ) is a useful research chemical. |
Molecular Weight: | 201.05 |
Molecular Formula: | C9H6Cl2O |
Canonical SMILES: | C#CC(C1=CC(=C(C=C1)Cl)Cl)O |
InChI: | InChI=1S/C9H6Cl2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h1,3-5,9,12H |
InChI Key: | UCHRPTFVDWKFDF-UHFFFAOYSA-N |
LogP: | 2.66000 |
Publication Number | Title | Priority Date |
JP-5341754-B2 | Amine compounds and their pharmaceutical uses | 20070614 |
JP-WO2008153159-A1 | Amine compounds and their pharmaceutical uses | 20070614 |
EP-1104418-A2 | Nematicidal pyrazoles | 19980811 |
JP-2003519081-A | Nematicidal and anthelmintic pyrazoles | 19980811 |
KR-20010071975-A | Nematicidal pyrazoles | 19980811 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.9795702 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.9795702 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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