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4-Bromo-2-chloro-1-(trifluoromethoxy)benzene

4-Bromo-2-chloro-1-(trifluoromethoxy)benzene - CAS 158579-80-7

Catalog:	BB011431
Product Name:	4-Bromo-2-chloro-1-(trifluoromethoxy)benzene
CAS:	158579-80-7
Synonyms:	4-bromo-2-chloro-1-(trifluoromethoxy)benzene; 4-bromo-2-chloro-1-(trifluoromethoxy)benzene

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-2-chloro-1-(trifluoromethoxy)benzene
Description:	4-Bromo-2-chloro-1-(trifluoromethoxy)benzene (CAS# 158579-80-7) is a useful research chemical.
Molecular Weight:	275.45
Molecular Formula:	C7H3BrClF3O
Canonical SMILES:	C1=CC(=C(C=C1Br)Cl)OC(F)(F)F
InChI:	InChI=1S/C7H3BrClF3O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
InChI Key:	WSENYRJAJFHXQR-UHFFFAOYSA-N
Boiling Point:	203.1 °C at 760 mmHg
Density:	1.743 g/cm³
MDL:	MFCD10699114
LogP:	4.00110

Publication Number	Title	Priority Date
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619
WO-2020199683-A1	Nitrogen heterocycle substituted sulfonylbenzamide derivative, preparation method therefor and use thereof in medicine	20190404
CN-107207430-B	Heterocyclic substituted N-sulfonyl benzamide derivative, preparation method and medical application thereof	20150204
CN-107406380-B	Heterocyclic substituted N-sulfonyl benzamide derivative, preparation method and medical application thereof	20150204
CN-107428683-B	Heterocyclic substituted N-sulfonyl benzamide derivative, preparation method and medical application thereof	20150204

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Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.90079
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	273.90079
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6