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4-Bromo-3-methyl-alpha-(trifluoromethyl)benzyl Alcohol

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

Technical Data

Patents

Computed Properties

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 RORÎ³t	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

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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