4-Bromo-3-methyl-alpha-(trifluoromethyl)benzyl Alcohol - CAS 1536707-43-3
Catalog: |
BB010924 |
Product Name: |
4-Bromo-3-methyl-alpha-(trifluoromethyl)benzyl Alcohol |
CAS: |
1536707-43-3 |
Synonyms: |
1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanol; 1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanol |
IUPAC Name: | 1-(4-bromo-3-methylphenyl)-2,2,2-trifluoroethanol |
Description: | 4-Bromo-3-methyl-alpha-(trifluoromethyl)benzyl Alcohol (CAS# 1536707-43-3) is a useful research chemical. |
Molecular Weight: | 269.06 |
Molecular Formula: | C9H8BrF3O |
Canonical SMILES: | CC1=C(C=CC(=C1)C(C(F)(F)F)O)Br |
InChI: | InChI=1S/C9H8BrF3O/c1-5-4-6(2-3-7(5)10)8(14)9(11,12)13/h2-4,8,14H,1H3 |
InChI Key: | RIVPFERROZLXLY-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-10150762-B2 | Trifluoromethyl alcohols as modulators of RORγt | 20141030 |
US-2016122335-A1 | AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt | 20141030 |
US-2016122336-A1 | TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt | 20141030 |
US-2017327492-A1 | TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt | 20141030 |
US-9845319-B2 | Amide substituted thiazoles as modulators of RORyt | 20141030 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.97106 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.97106 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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