3-Methoxy-4-(trifluoromethyl)benzyl Alcohol - CAS 276861-64-4
Catalog: |
BB019641 |
Product Name: |
3-Methoxy-4-(trifluoromethyl)benzyl Alcohol |
CAS: |
276861-64-4 |
Synonyms: |
[3-methoxy-4-(trifluoromethyl)phenyl]methanol; [3-methoxy-4-(trifluoromethyl)phenyl]methanol |
IUPAC Name: | [3-methoxy-4-(trifluoromethyl)phenyl]methanol |
Description: | 3-Methoxy-4-(trifluoromethyl)benzyl Alcohol (CAS# 276861-64-4) is a useful research chemical compound. |
Molecular Weight: | 206.16 |
Molecular Formula: | C9H9F3O2 |
Canonical SMILES: | COC1=C(C=CC(=C1)CO)C(F)(F)F |
InChI: | InChI=1S/C9H9F3O2/c1-14-8-4-6(5-13)2-3-7(8)9(10,11)12/h2-4,13H,5H2,1H3 |
InChI Key: | KGRHSPHJFOSYLA-UHFFFAOYSA-N |
LogP: | 2.20630 |
Publication Number | Title | Priority Date |
WO-2018181456-A1 | Indazole derivative and pharmaceutical drug containing same | 20170329 |
JP-2020111510-A | Indazole derivative and pharmaceutical containing the same | 20170329 |
EP-1140924-A1 | Piperazine derivatives | 19981214 |
EP-1140924-B1 | Piperazine derivatives | 19981214 |
US-2006014948-A1 | Piperazine derivatives | 19981214 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.05546401 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.05546401 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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