2-(3-Bromophenyl)-4-pentyn-2-ol - CAS 1342144-24-4
Catalog: |
BB007897 |
Product Name: |
2-(3-Bromophenyl)-4-pentyn-2-ol |
CAS: |
1342144-24-4 |
Synonyms: |
2-(3-bromophenyl)-4-pentyn-2-ol; 2-(3-bromophenyl)pent-4-yn-2-ol |
IUPAC Name: | 2-(3-bromophenyl)pent-4-yn-2-ol |
Description: | 2-(3-Bromophenyl)-4-pentyn-2-ol (CAS# 1342144-24-4 ) is a useful research chemical. |
Molecular Weight: | 239.11 |
Molecular Formula: | C11H11BrO |
Canonical SMILES: | CC(CC#C)(C1=CC(=CC=C1)Br)O |
InChI: | InChI=1S/C11H11BrO/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h1,4-6,8,13H,7H2,2H3 |
InChI Key: | CTSKPUMKMYFJKS-UHFFFAOYSA-N |
LogP: | 2.67990 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.99933 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.99933 |
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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