2-(5-Fluoro-1H-indol-3-yl)ethanol - CAS 101349-12-6
Catalog: |
BB044387 |
Product Name: |
2-(5-Fluoro-1H-indol-3-yl)ethanol |
CAS: |
101349-12-6 |
Synonyms: |
2-(5-fluoro-1H-indol-3-yl)ethan-1-ol; 1H-Indole-3-ethanol, 5-fluoro-; 5-Fluoro-1H-indole-3-ethanol; 5-Floro-3-(2-hydroxyethyl)indole |
IUPAC Name: | 2-(5-fluoro-1H-indol-3-yl)-ethanol |
Description: | 2-(5-Fluoro-1H-indol-3-yl)ethanol (CAS# 101349-12-6 ) is a useful research chemical. |
Molecular Weight: | 179.19 |
Molecular Formula: | C10H10FNO |
Canonical SMILES: | C1=CC2=C(C=C1F)C(=CN2)CCO |
InChI: | InChI=1S/C10H10FNO/c11-8-1-2-10-9(5-8)7(3-4-13)6-12-10/h1-2,5-6,12-13H,3-4H2 |
InChI Key: | MXTYSYXDDDVPBQ-UHFFFAOYSA-N |
Boiling Point: | 361.2±27.0 °C (Predicted) |
Melting Point: | 89-91 °C |
Purity: | ≥ 97 % by HPLC |
Density: | 1.313±0.06 g/cm3 (Predicted) |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.074642105 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.074642105 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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