1-Bromo-5-methoxypentane - CAS 14155-86-3

Catalog:	BB009194
Product Name:	1-Bromo-5-methoxypentane
CAS:	14155-86-3
Synonyms:	1-bromo-5-methoxypentane; 1-bromo-5-methoxypentane

Technical Data

Patents

Computed Properties

IUPAC Name:	1-bromo-5-methoxypentane
Description:	1-Bromo-5-methoxypentane (CAS# 14155-86-3) is used as a reagent in the preparation of benzobis(thiadiazole) derivatives having oxygen-containing hydrocarbon groups useful for organic electronic devices.
Molecular Weight:	181.07
Molecular Formula:	C6H13BrO
Canonical SMILES:	COCCCCCBr
InChI:	InChI=1S/C6H13BrO/c1-8-6-4-2-3-5-7/h2-6H2,1H3
InChI Key:	RGZWCZXZKRRAHL-UHFFFAOYSA-N
LogP:	2.19800

Publication Number	Title	Priority Date
JP-6236545-B2	Method for producing trifluoromethylthioalkyl compound	20141112
JP-WO2016076183-A1	Method for producing trifluoromethylthioalkyl compound	20141112
WO-2016076183-A1	Method for producing trifluoromethyl thioalkyl compound	20141112
AU-2014212242-A1	Amine compounds having anti-inflammatory, antifungal, antiparasitic and anticancer activity	20130201
CA-2898018-A1	Substituted quinolin-4-amine compounds and pharmaceutical compositions thereof having anti-inflammatory, antifungal, antiparasitic and anticancer activity	20130201

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Complexity:	39.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.01498
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.01498
Rotatable Bond Count:	5
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9