4-Bromo-2,6-dinitroaniline - CAS 62554-90-9

Catalog:	BB031660
Product Name:	4-Bromo-2,6-dinitroaniline
CAS:	62554-90-9
Synonyms:	4-bromo-2,6-dinitroaniline; 4-bromo-2,6-dinitroaniline

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-2,6-dinitroaniline
Description:	4-Bromo-2,6-dinitroaniline (CAS# 62554-90-9) is used as a reactant in the preparation of quinazolinone derivatives as antiviral agents.
Molecular Weight:	262.02
Molecular Formula:	C6H4BrN3O4
Canonical SMILES:	C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])Br
InChI:	InChI=1S/C6H4BrN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2
InChI Key:	IIUAAKYBFINVAD-UHFFFAOYSA-N
LogP:	3.47530

Publication Number	Title	Priority Date
WO-2020200284-A1	Preparation method for tricyclic compound and use of same in field of medicine	20190404
US-2017117097-A1	Organic compound, crystal dielectric layer and capacitor	20151021
WO-2017070249-A1	Organic compound, crystal dielectric layer and capacitor background	20151021
AU-2016249273-A1	Bromodomain inhibitor	20150415
CA-2982588-A1	Bromodomain inhibitors	20150415

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Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	260.93852
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	260.93852
Rotatable Bond Count:	0
Topological Polar Surface Area:	118
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5