2-(4-Fluorophenyl)-3-butyn-2-ol - CAS 159028-51-0
Catalog: |
BB011487 |
Product Name: |
2-(4-Fluorophenyl)-3-butyn-2-ol |
CAS: |
159028-51-0 |
Synonyms: |
2-(4-fluorophenyl)but-3-yn-2-ol |
IUPAC Name: | 2-(4-fluorophenyl)but-3-yn-2-ol |
Description: | 2-(4-Fluorophenyl)-3-butyn-2-ol (CAS# 159028-51-0 ) is a useful research chemical. |
Molecular Weight: | 164.18 |
Molecular Formula: | C10H9FO |
Canonical SMILES: | CC(C#C)(C1=CC=C(C=C1)F)O |
InChI: | InChI=1S/C10H9FO/c1-3-10(2,12)8-4-6-9(11)7-5-8/h1,4-7,12H,2H3 |
InChI Key: | JEHIMMYBAYPVHN-UHFFFAOYSA-N |
Boiling Point: | 225.9 °C at 760 mmHg |
Density: | 1.111 g/mL at 25 °C |
Appearance: | Colorless to brown liquid |
LogP: | 1.66640 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
RU-2629024-C1 | Atom-economic waste-free method of producing 2-(4-fluorphenyl)-but-3-in-2-ola | 20160504 |
AU-2014249050-A1 | Histone dementhylase inhibitors | 20130312 |
AU-2014249050-B2 | Histone dementhylase inhibitors | 20130312 |
EP-2968282-A1 | Histone dementhylase inhibitors | 20130312 |
EP-2968282-B1 | Histone dementhylase inhibitors | 20130312 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.063743068 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.063743068 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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