4-Bromo-2-(trifluoromethoxy)benzyl Alcohol - CAS 220996-81-6
Catalog: |
BB017371 |
Product Name: |
4-Bromo-2-(trifluoromethoxy)benzyl Alcohol |
CAS: |
220996-81-6 |
Synonyms: |
[4-bromo-2-(trifluoromethoxy)phenyl]methanol; [4-bromo-2-(trifluoromethoxy)phenyl]methanol |
IUPAC Name: | [4-bromo-2-(trifluoromethoxy)phenyl]methanol |
Description: | 4-Bromo-2-(trifluoromethoxy)benzyl Alcohol (CAS# 220996-81-6) is a useful research chemical. |
Molecular Weight: | 271.03 |
Molecular Formula: | C8H6BrF3O2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)OC(F)(F)F)CO |
InChI: | InChI=1S/C8H6BrF3O2/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12/h1-3,13H,4H2 |
InChI Key: | CMVFMHREHCVREX-UHFFFAOYSA-N |
Boiling Point: | 248 °C at 760 mmHg |
Density: | 1.695 g/cm3 |
MDL: | MFCD12546981 |
LogP: | 2.84000 |
Publication Number | Title | Priority Date |
US-10316035-B2 | Triazolopyridine inhibitors of myeloperoxidase | 20150903 |
US-2018244671-A1 | Triazolopyridine inhibitors of myeloperoxidase | 20150903 |
WO-2017040450-A1 | Triazolopyridine inhibitors of myeloperoxidase | 20150903 |
JP-WO2015046404-A1 | Treatment or prevention agent for pulmonary hypertension | 20130926 |
JP-WO2015046405-A1 | Painkiller | 20130926 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.95033 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.95033 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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