2-(2-Bromo-5-fluorophenyl)ethanol - CAS 866029-28-9

Catalog:	BB037997
Product Name:	2-(2-Bromo-5-fluorophenyl)ethanol
CAS:	866029-28-9
Synonyms:	2-(2-bromo-5-fluorophenyl)ethanol; 2-(2-bromo-5-fluorophenyl)ethanol

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(2-bromo-5-fluorophenyl)ethanol
Description:	2-(2-Bromo-5-fluorophenyl)ethanol (CAS# 866029-28-9) is a useful research chemical.
Molecular Weight:	219.05
Molecular Formula:	C8H8BrFO
Canonical SMILES:	C1=CC(=C(C=C1F)CCO)Br
InChI:	InChI=1S/C8H8BrFO/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5,11H,3-4H2
InChI Key:	WCHMYCOJRHCHAK-UHFFFAOYSA-N
LogP:	2.12300

Publication Number	Title	Priority Date
US-2020290987-A1	Salts of a heterocyclic compound and crystalline forms, processes for preparing, therapeutic uses, and pharmaceutical compositions thereof	20190314
WO-2020186165-A1	Salts of a isochromanyl compound and crystalline forms, processes for preparing, therapeutic uses, and pharmaceutical compositions thereof	20190314
US-11136304-B2	Salts of a heterocyclic compound and crystalline forms, processes for preparing, therapeutic uses, and pharmaceutical compositions thereof	20190314
EP-3630748-A1	Ire1 small molecule inhibitors	20170601
WO-2018222918-A1	Ire1 small molecule inhibitors	20170601

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Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.97426
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.97426
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3