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4-Bromo-2-chloro-1-isopropoxybenzene

4-Bromo-2-chloro-1-isopropoxybenzene - CAS 201849-21-0

Name: 4-Bromo-2-chloro-1-isopropoxybenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015699
Product Name:	4-Bromo-2-chloro-1-isopropoxybenzene
CAS:	201849-21-0
Synonyms:	4-bromo-2-chloro-1-propan-2-yloxybenzene; 4-bromo-2-chloro-1-propan-2-yloxybenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-2-chloro-1-propan-2-yloxybenzene
Description:	4-Bromo-2-chloro-1-isopropoxybenzene (CAS# 201849-21-0) is a useful research chemical.
Molecular Weight:	249.53
Molecular Formula:	C9H10BrClO
Canonical SMILES:	CC(C)OC1=C(C=C(C=C1)Br)Cl
InChI:	InChI=1S/C9H10BrClO/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6H,1-2H3
InChI Key:	VTHAMTOHIIKONQ-UHFFFAOYSA-N
LogP:	3.88970

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Related Functional Groups

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Publication Number	Title	Priority Date
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619
WO-2016124139-A1	Heterocyclic-substituted n-sulfonylbenzamide derivatives, preparation method for derivatives, and pharmaceutical use of derivatives	20150204
EP-3063141-B1	N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors	20131029
US-2016280643-A1	N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors	20131029
WO-2015065937-A1	N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors	20131029

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.96036
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.96036
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2